4-chloro-2-methoxy-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide

• ChemBase ID: 762993
• Molecular Formular: C18H20ClN3O2
• Molecular Mass: 345.8233
• Monoisotopic Mass: 345.12440458
• SMILES: c1(C(=O)NCc2c3c(cnc2C)CNCC3)c(cc(cc1)Cl)OC
• Canonical SMILES: COc1cc(Cl)ccc1C(=O)NCc1c(C)ncc2c1CCNC2
• InChI: InChI=1S/C18H20ClN3O2/c1-11-16(14-5-6-20-8-12(14)9-21-11)10-22-18(23)15-4-3-13(19)7-17(15)24-2/h3-4,7,9,20H,5-6,8,10H2,1-2H3,(H,22,23)
• InChIKey: OXKOBTRJELKLGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2-methoxy-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide
• IUPAC Traditional name: 4-chloro-2-methoxy-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide
• Synonyms: 4-chloro-2-methoxy-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.1494255
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.2984992
• LogD (pH = 7.4): 0.23374332
• Log P: 1.7303438
• Molar Refractivity: 94.9059 cm^3
• Polarizability: 36.100883 Å^3
• Polar Surface Area: 63.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.91
• LOG S: -2.05
• Polar Surface Area: 63.25 Å^2
• Rotatable Bonds: 4