N-[(1-methyl-1H-imidazol-2-yl)methyl]-4-(4-oxo-3,4-dihydroquinazolin-3-yl)-N-propylbutanamide

• ChemBase ID: 578291
• Molecular Formular: C20H25N5O2
• Molecular Mass: 367.4448
• Monoisotopic Mass: 367.20082507
• SMILES: c1(=O)n(cnc2c1cccc2)CCCC(=O)N(Cc1n(ccn1)C)CCC
• Canonical SMILES: CCCN(C(=O)CCCn1cnc2c(c1=O)cccc2)Cc1nccn1C
• InChI: InChI=1S/C20H25N5O2/c1-3-11-24(14-18-21-10-13-23(18)2)19(26)9-6-12-25-15-22-17-8-5-4-7-16(17)20(25)27/h4-5,7-8,10,13,15H,3,6,9,11-12,14H2,1-2H3
• InChIKey: LJXVEBHODKQQRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-methyl-1H-imidazol-2-yl)methyl]-4-(4-oxo-3,4-dihydroquinazolin-3-yl)-N-propylbutanamide
• IUPAC Traditional name: N-[(1-methylimidazol-2-yl)methyl]-4-(4-oxoquinazolin-3-yl)-N-propylbutanamide
• Synonyms: N-[(1-methyl-1H-imidazol-2-yl)methyl]-4-(4-oxoquinazolin-3(4H)-yl)-N-propylbutanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.8238791
• LogD (pH = 7.4): 1.3569638
• Log P: 1.3746606
• Molar Refractivity: 106.0144 cm^3
• Polarizability: 39.099533 Å^3
• Polar Surface Area: 70.8 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.03
• LOG S: -2.76
• Polar Surface Area: 73.02 Å^2
• Rotatable Bonds: 8