Hki-357
(E)-N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide
Molecular Identity
Hki-357
(E)-N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide
PubChem CID: 11238512
2D Structure
Properties
C31H29ClFN5O3
Molecular Formula
574.00
Molecular Weight
g/mol
573.1943
Exact Mass
Da
6
XLogP
Above Lipinski threshold
99.5
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
8
H-Bond Acceptors
915
Complexity
SMILES
Canonical SMILES
SMILES: CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl)C#N)NC(=O)C=CCN(C)CIsomeric SMILES
SMILES: CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl)C#N)NC(=O)/C=C/CN(C)CSynonyms(20)
HKI-357HKI 357UNII-39R3638KZ639R3638KZ6DTXSID20233873(E)-N-(4-(3-CHLORO-4-((3-FLUOROBENZYL)OXY)ANILINO)-3-CYANO-7-ETHOXY-6-QUINOLINYL)-4-(DIMETHYLAMINO)-2-BUTENAMIDE2-Butenamide, N-(4-((3-chloro-4-((3-fluorophenyl)methoxy)phenyl)amino)-3-cyano-7-ethoxy-6-quinolinyl)-4-(dimethylamino)-, (2E)-(2E)-N-(4-((3-chloro-4-((3-fluorophenyl)methoxy)phenyl)amino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide(2E)-N-[4-({3-CHLORO-4-[(3-FLUOROPHENYL)METHOXY]PHENYL}AMINO)-3-CYANO-7-ETHOXYQUINOLIN-6-YL]-4-(DIMETHYLAMINO)BUT-2-ENAMIDERefChem:146608DTXCID50156364848133-17-5(E)-N-(4-((3-Chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamideMFCD26792555CHEMBL178654
Data from PubChem (NCBI)
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Drug Network
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