N-{2-[(8-methoxy-2-oxo-1,2,3,4-tetrahydroquinolin-4-yl)formamido]ethyl}pyridine-3-carboxamide

• ChemBase ID: 460082
• Molecular Formular: C19H20N4O4
• Molecular Mass: 368.3865
• Monoisotopic Mass: 368.14845514
• SMILES: c12NC(=O)CC(c1cccc2OC)C(=O)NCCNC(=O)c1cnccc1
• Canonical SMILES: COc1cccc2c1NC(=O)CC2C(=O)NCCNC(=O)c1cccnc1
• InChI: InChI=1S/C19H20N4O4/c1-27-15-6-2-5-13-14(10-16(24)23-17(13)15)19(26)22-9-8-21-18(25)12-4-3-7-20-11-12/h2-7,11,14H,8-10H2,1H3,(H,21,25)(H,22,26)(H,23,24)
• InChIKey: BELGWKIMUJHXNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[(8-methoxy-2-oxo-1,2,3,4-tetrahydroquinolin-4-yl)formamido]ethyl}pyridine-3-carboxamide
• IUPAC Traditional name: N-{2-[(8-methoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl)formamido]ethyl}pyridine-3-carboxamide
• Synonyms: 8-methoxy-2-oxo-N-{2-[(pyridin-3-ylcarbonyl)amino]ethyl}-1,2,3,4-tetrahydroquinoline-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.198252
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -0.3483111
• LogD (pH = 7.4): -0.34328088
• Log P: -0.34320965
• Molar Refractivity: 99.5151 cm^3
• Polarizability: 37.15339 Å^3
• Polar Surface Area: 109.42 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 3
• Log P: -0.36
• LOG S: -2.89
• Polar Surface Area: 109.42 Å^2
• Rotatable Bonds: 6