N-{[6-chloro-4-(cyclopentylamino)quinazolin-2-yl]methyl}furan-3-carboxamide

• ChemBase ID: 522467
• Molecular Formular: C19H19ClN4O2
• Molecular Mass: 370.83276
• Monoisotopic Mass: 370.11965355
• SMILES: c1(c2c(nc(n1)CNC(=O)c1cocc1)ccc(c2)Cl)NC1CCCC1
• Canonical SMILES: Clc1ccc2c(c1)c(NC1CCCC1)nc(n2)CNC(=O)c1cocc1
• InChI: InChI=1S/C19H19ClN4O2/c20-13-5-6-16-15(9-13)18(22-14-3-1-2-4-14)24-17(23-16)10-21-19(25)12-7-8-26-11-12/h5-9,11,14H,1-4,10H2,(H,21,25)(H,22,23,24)
• InChIKey: XRCZXWYJTGCDCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[6-chloro-4-(cyclopentylamino)quinazolin-2-yl]methyl}furan-3-carboxamide
• IUPAC Traditional name: N-{[6-chloro-4-(cyclopentylamino)quinazolin-2-yl]methyl}furan-3-carboxamide
• Synonyms: N-{[6-chloro-4-(cyclopentylamino)-2-quinazolinyl]methyl}-3-furamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.76817
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 3.8422973
• LogD (pH = 7.4): 3.843579
• Log P: 3.8435955
• Molar Refractivity: 101.1376 cm^3
• Polarizability: 38.67128 Å^3
• Polar Surface Area: 80.05 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 3.97
• LOG S: -5.75
• Polar Surface Area: 80.05 Å^2
• Rotatable Bonds: 5