7-amino-4-[1-(4-methoxyphenyl)-1H-imidazol-2-yl]-1,2,3,4-tetrahydro-1,8-naphthyridin-2-one

• ChemBase ID: 609951
• Molecular Formular: C18H17N5O2
• Molecular Mass: 335.35988
• Monoisotopic Mass: 335.13822481
• SMILES: c1(n(c2ccc(cc2)OC)ccn1)C1c2c(NC(=O)C1)nc(cc2)N
• Canonical SMILES: COc1ccc(cc1)n1ccnc1C1CC(=O)Nc2c1ccc(n2)N
• InChI: InChI=1S/C18H17N5O2/c1-25-12-4-2-11(3-5-12)23-9-8-20-18(23)14-10-16(24)22-17-13(14)6-7-15(19)21-17/h2-9,14H,10H2,1H3,(H3,19,21,22,24)
• InChIKey: VROSLWFHJOFNMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-amino-4-[1-(4-methoxyphenyl)-1H-imidazol-2-yl]-1,2,3,4-tetrahydro-1,8-naphthyridin-2-one
• IUPAC Traditional name: 7-amino-4-[1-(4-methoxyphenyl)imidazol-2-yl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
• Synonyms: 7-amino-4-[1-(4-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-1,8-naphthyridin-2(1H)-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.923366
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.0487101
• LogD (pH = 7.4): 1.7898554
• Log P: 1.8068296
• Molar Refractivity: 105.8629 cm^3
• Polarizability: 35.756252 Å^3
• Polar Surface Area: 95.06 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.26
• LOG S: -3.58
• Polar Surface Area: 95.06 Å^2
• Rotatable Bonds: 3