7-amino-4-[2-(cyclopentyloxy)phenyl]-1,2,3,4-tetrahydro-1,8-naphthyridin-2-one

• ChemBase ID: 651250
• Molecular Formular: C19H21N3O2
• Molecular Mass: 323.38894
• Monoisotopic Mass: 323.16337693
• SMILES: c12NC(=O)CC(c2ccc(n1)N)c1c(OC2CCCC2)cccc1
• Canonical SMILES: O=C1Nc2nc(N)ccc2C(C1)c1ccccc1OC1CCCC1
• InChI: InChI=1S/C19H21N3O2/c20-17-10-9-14-15(11-18(23)22-19(14)21-17)13-7-3-4-8-16(13)24-12-5-1-2-6-12/h3-4,7-10,12,15H,1-2,5-6,11H2,(H3,20,21,22,23)
• InChIKey: WHRVHZVHDZMASA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.934089
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.9317706
• LogD (pH = 7.4): 3.2700944
• Log P: 3.2767892
• Molar Refractivity: 94.8764 cm^3
• Polarizability: 35.308586 Å^3
• Polar Surface Area: 77.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.54
• LOG S: -4.58
• Polar Surface Area: 77.24 Å^2
• Rotatable Bonds: 3