4,7-dimethyl-2-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]quinazoline

• ChemBase ID: 385812
• Molecular Formular: C20H26N4O
• Molecular Mass: 338.44664
• Monoisotopic Mass: 338.21066147
• SMILES: c1(nc2c(c(n1)C)ccc(c2)C)N1CC(C(=O)N2CCCC2)CCC1
• Canonical SMILES: Cc1ccc2c(c1)nc(nc2C)N1CCCC(C1)C(=O)N1CCCC1
• InChI: InChI=1S/C20H26N4O/c1-14-7-8-17-15(2)21-20(22-18(17)12-14)24-11-5-6-16(13-24)19(25)23-9-3-4-10-23/h7-8,12,16H,3-6,9-11,13H2,1-2H3
• InChIKey: HZRWWJDKPGEDNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,7-dimethyl-2-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]quinazoline
• IUPAC Traditional name: 4,7-dimethyl-2-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]quinazoline
• Synonyms: 4,7-dimethyl-2-[3-(1-pyrrolidinylcarbonyl)-1-piperidinyl]quinazoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.9695263
• LogD (pH = 7.4): 3.129424
• Log P: 3.1319091
• Molar Refractivity: 100.1923 cm^3
• Polarizability: 38.8849 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.35
• LOG S: -4.75
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2