HIT ID: HIT212654884
Cas No: 183321-86-0
分子式: C21H21N3O4
分子量: 379.416
常用名: Desmethyl Erlotinib
氢键受体数 (HBA): 7
氢键供体数 (HBD): 2
LogP: 2.557861
IUPAC: 2-({4-[(3-ethynylphenyl)amino]-7-(2-methoxyethoxy)quinazolin-6-yl}oxy)ethan-1-ol
IUPAC: 2-({4-[(3-ethynylphenyl)amino]-7-(2-methoxyethoxy)quinazolin-6-yl}oxy)ethan-1-ol
SMILES: COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCO
SMILES: COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCO
InChI key: KOQIAZNBAWFSQM-UHFFFAOYSA-N