N-(4,7-dimethyl-2-oxo-2H-chromen-6-yl)-2-methyl-1,8-naphthyridine-3-carboxamide

• ChemBase ID: 774265
• Molecular Formular: C21H17N3O3
• Molecular Mass: 359.37798
• Monoisotopic Mass: 359.12699142
• SMILES: c1(C(=O)Nc2cc3c(oc(=O)cc3C)cc2C)c(nc2c(c1)cccn2)C
• Canonical SMILES: O=c1cc(C)c2c(o1)cc(c(c2)NC(=O)c1cc2cccnc2nc1C)C
• InChI: InChI=1S/C21H17N3O3/c1-11-8-19(25)27-18-7-12(2)17(10-15(11)18)24-21(26)16-9-14-5-4-6-22-20(14)23-13(16)3/h4-10H,1-3H3,(H,24,26)
• InChIKey: WBXPSFKSFOVXRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4,7-dimethyl-2-oxo-2H-chromen-6-yl)-2-methyl-1,8-naphthyridine-3-carboxamide
• IUPAC Traditional name: N-(4,7-dimethyl-2-oxochromen-6-yl)-2-methyl-1,8-naphthyridine-3-carboxamide
• Synonyms: N-(4,7-dimethyl-2-oxo-2H-chromen-6-yl)-2-methyl-1,8-naphthyridine-3-carboxamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Log P: 2.13
• LOG S: -3.64
• Polar Surface Area: 85.09 Å^2
• Rotatable Bonds: 2
• H Acceptors: 5
• H Donor: 1

JChem

• Molar Refractivity: 104.334 cm^3
• Polarizability: 38.724575 Å^3
• Polar Surface Area: 81.18 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 12.429815
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.0844145
• LogD (pH = 7.4): 3.0844135
• Log P: 3.0844173