6-methoxy-2-oxo-N-{[1-(1H-pyrazol-1-ylmethyl)cyclopropyl]methyl}-1,2,3,4-tetrahydroquinoline-4-carboxamide

• ChemBase ID: 363187
• Molecular Formular: C19H22N4O3
• Molecular Mass: 354.40298
• Monoisotopic Mass: 354.16919058
• SMILES: c12C(C(=O)NCC3(CC3)Cn3nccc3)CC(=O)Nc1ccc(c2)OC
• Canonical SMILES: COc1ccc2c(c1)C(CC(=O)N2)C(=O)NCC1(CC1)Cn1cccn1
• InChI: InChI=1S/C19H22N4O3/c1-26-13-3-4-16-14(9-13)15(10-17(24)22-16)18(25)20-11-19(5-6-19)12-23-8-2-7-21-23/h2-4,7-9,15H,5-6,10-12H2,1H3,(H,20,25)(H,22,24)
• InChIKey: JQSVEFUJORFZME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-2-oxo-N-{[1-(1H-pyrazol-1-ylmethyl)cyclopropyl]methyl}-1,2,3,4-tetrahydroquinoline-4-carboxamide
• IUPAC Traditional name: 6-methoxy-2-oxo-N-{[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl}-3,4-dihydro-1H-quinoline-4-carboxamide
• Synonyms: 6-methoxy-2-oxo-N-{[1-(1H-pyrazol-1-ylmethyl)cyclopropyl]methyl}-1,2,3,4-tetrahydro-4-quinolinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.170616
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.7957809
• LogD (pH = 7.4): 0.7959137
• Log P: 0.7959155
• Molar Refractivity: 108.4228 cm^3
• Polarizability: 36.79206 Å^3
• Polar Surface Area: 85.25 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.28
• LOG S: -3.33
• Polar Surface Area: 85.25 Å^2
• Rotatable Bonds: 6