2-(3-methyl-4-oxo-3,4-dihydroquinazoline-7-carbonyl)-7-(propan-2-yl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 353070
• Molecular Formular: C21H26N4O3
• Molecular Mass: 382.45614
• Monoisotopic Mass: 382.20049071
• SMILES: C12(C(=O)N(C(C)C)CCC2)CN(C(=O)c2cc3c(c(=O)n(cn3)C)cc2)CC1
• Canonical SMILES: CC(N1CCCC2(C1=O)CCN(C2)C(=O)c1ccc2c(c1)ncn(c2=O)C)C
• InChI: InChI=1S/C21H26N4O3/c1-14(2)25-9-4-7-21(20(25)28)8-10-24(12-21)18(26)15-5-6-16-17(11-15)22-13-23(3)19(16)27/h5-6,11,13-14H,4,7-10,12H2,1-3H3
• InChIKey: ZTZKIPJXFOIOIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methyl-4-oxo-3,4-dihydroquinazoline-7-carbonyl)-7-(propan-2-yl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-isopropyl-2-(3-methyl-4-oxoquinazoline-7-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-[(7-isopropyl-6-oxo-2,7-diazaspiro[4.5]dec-2-yl)carbonyl]-3-methylquinazolin-4(3H)-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.97135997
• LogD (pH = 7.4): 0.971698
• Log P: 0.9717023
• Molar Refractivity: 108.4482 cm^3
• Polarizability: 39.696644 Å^3
• Polar Surface Area: 73.29 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.15
• LOG S: -3.17
• Polar Surface Area: 75.51 Å^2
• Rotatable Bonds: 2