Standard InChI: InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+ (Source: PubChem)

IUPAC Name: (E)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide (Source: PubChem)

PubChem CID: 9915743 (Source: PubChem)

SMILES String: CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)C#N)NC(=O)C=CCN(C)C (Source: PubChem)

CAS Registry Number: 698387-09-6 (Source: PubChem)

Connectivity SMILES string: CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)C#N)NC(=O)C=CCN(C)C (Source: PubChem)

Standard InChIKey: JWNPDZNEKVCWMY-VQHVLOKHSA-N (Source: PubChem)

ChEBI ID: CHEBI:61397 (Source: PubChem)

ChEMBL ID: CHEMBL180022 (Source: PubChem)

CompTox Dashboard Compound ID: DTXCID70142623 (Source: PubChem)

CompTox Dashboard Substance ID: DTXSID70220132 (Source: PubChem)

Wikidata ID: Q6995920 (Source: PubChem)

WHO ATC Classification Drug Code: L01EH02 (Source: ChEMBL)

WHO ATC Classification Drug Name: Neratinib (Source: ChEMBL)

Connectivity SMILES string: CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C (Source: ChEMBL)

International Nonproprietary Name: Neratinib (Source: ChEMBL)

Merck Index Name: Neratinib (Source: ChEMBL)

Preferred Name: NERATINIB (Source: ChEMBL)

Standard InChI: InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+ (Source: ChEMBL)

Standard InChIKey: JWNPDZNEKVCWMY-VQHVLOKHSA-N (Source: ChEMBL)

US Adopted Name: Neratinib (Source: ChEMBL)

Thermodynamic parameters: 4.9 (Source: PubChem)

Surface parameters: 40 (Source: PubChem)

Molecule statistics: 8 (Source: PubChem)

Molecule statistics: 2 (Source: PubChem)

Stuctural analysis: 881 (Source: PubChem)

Molecule statistics: 11 (Source: PubChem)

Surface parameters: 112 (Source: PubChem)

Molecule statistics: 1 (Source: PubChem)

Molecule statistics: 0 (Source: PubChem)

Molecule statistics: 1 (Source: PubChem)

Thermodynamic parameters: 4.9 (Source: PubChem)

Molecule statistics: 1 (Source: PubChem)

Molecule statistics: 0 (Source: PubChem)

Molecule statistics: 1 (Source: PubChem)

Mass parameters: 556.1989665 Da (Source: PubChem)

Molecule statistics: 40 (Source: PubChem)

Molecule statistics: 8 (Source: PubChem)

Molecule statistics: 2 (Source: PubChem)

Molecule statistics: 0 (Source: PubChem)

Surface parameters: 0 (Source: PubChem)

Stuctural analysis: 881 (Source: PubChem)

Stuctural analysis: 431.3 (Source: PubChem)

Mass parameters: 557.0 g/mol (Source: PubChem)

Mass parameters: 556.1989665 Da (Source: PubChem)

Molecule statistics: 11 (Source: PubChem)

Surface parameters: 112 Ų (Source: PubChem)

Molecule statistics: 0 (Source: PubChem)

Molecule statistics: 0 (Source: PubChem)

Thermodynamic parameters: 4 (Source: ChEMBL)

Thermodynamic parameters: 5.93 (Source: ChEMBL)

Molecule statistics: 40 (Source: ChEMBL)

Molecule statistics: 8 (Source: ChEMBL)

Molecule statistics: 2 (Source: ChEMBL)

Mass parameters: 557.05 g/mol (Source: ChEMBL)

Mass parameters: 557.05 g/mol (Source: ChEMBL)

Molecule statistics: -1.65 (Source: ChEMBL)

Molecule statistics: 112.40 (Source: ChEMBL)

Molecule statistics: 0.22 (Source: ChEMBL)

Molecule statistics: 11 (Source: ChEMBL)

Molecule statistics: 2 (Source: ChEMBL)

Chemical formula: C30H29ClN6O3 (Source: PubChem)

Chirality: 2 (Source: ChEMBL)

Chemical formula: C30H29ClN6O3 (Source: ChEMBL)

Molecule type: Small molecule (Source: ChEMBL)

Natural product: 1 (Source: ChEMBL)

Passes the rule of three : N (Source: ChEMBL)

USAN STEM Defintion: tyrosine kinase inhibitors (Source: ChEMBL)

USAN STEM: -tinib (Source: ChEMBL)