N-[1-(7-methoxy-4-methylquinazolin-2-yl)pyrrolidin-3-yl]-N-methylacetamide

• ChemBase ID: 718393
• Molecular Formular: C17H22N4O2
• Molecular Mass: 314.38218
• Monoisotopic Mass: 314.17427596
• SMILES: c1(nc2c(c(n1)C)ccc(c2)OC)N1CC(N(C(=O)C)C)CC1
• Canonical SMILES: COc1ccc2c(c1)nc(nc2C)N1CCC(C1)N(C(=O)C)C
• InChI: InChI=1S/C17H22N4O2/c1-11-15-6-5-14(23-4)9-16(15)19-17(18-11)21-8-7-13(10-21)20(3)12(2)22/h5-6,9,13H,7-8,10H2,1-4H3
• InChIKey: RZIGAGBLBSXWRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(7-methoxy-4-methylquinazolin-2-yl)pyrrolidin-3-yl]-N-methylacetamide
• IUPAC Traditional name: N-[1-(7-methoxy-4-methylquinazolin-2-yl)pyrrolidin-3-yl]-N-methylacetamide
• Synonyms: N-[1-(7-methoxy-4-methylquinazolin-2-yl)pyrrolidin-3-yl]-N-methylacetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.2015553
• LogD (pH = 7.4): 1.3765589
• Log P: 1.3793321
• Molar Refractivity: 89.0867 cm^3
• Polarizability: 34.83105 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.82
• LOG S: -2.19
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 3