N-({3-[(2-chloroprop-2-en-1-yl)oxy]-4-methoxyphenyl}methyl)-N-cyclopropylquinoline-2-carboxamide

• ChemBase ID: 699976
• Molecular Formular: C24H23ClN2O3
• Molecular Mass: 422.90402
• Monoisotopic Mass: 422.13972029
• SMILES: C(=O)(N(C1CC1)Cc1cc(OCC(=C)Cl)c(cc1)OC)c1nc2c(cc1)cccc2
• Canonical SMILES: COc1ccc(cc1OCC(=C)Cl)CN(C(=O)c1ccc2c(n1)cccc2)C1CC1
• InChI: InChI=1S/C24H23ClN2O3/c1-16(25)15-30-23-13-17(7-12-22(23)29-2)14-27(19-9-10-19)24(28)21-11-8-18-5-3-4-6-20(18)26-21/h3-8,11-13,19H,1,9-10,14-15H2,2H3
• InChIKey: CORSLXOFUDGTAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({3-[(2-chloroprop-2-en-1-yl)oxy]-4-methoxyphenyl}methyl)-N-cyclopropylquinoline-2-carboxamide
• IUPAC Traditional name: N-({3-[(2-chloroprop-2-en-1-yl)oxy]-4-methoxyphenyl}methyl)-N-cyclopropylquinoline-2-carboxamide
• Synonyms: N-{3-[(2-chloro-2-propen-1-yl)oxy]-4-methoxybenzyl}-N-cyclopropyl-2-quinolinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.6574473
• LogD (pH = 7.4): 4.657451
• Log P: 4.657451
• Molar Refractivity: 117.1082 cm^3
• Polarizability: 46.313225 Å^3
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.46
• LOG S: -5.94
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 7