7-(cyclopropylmethyl)-2-(6-methylquinoline-4-carbonyl)-2,7-diazaspiro[4.5]decane

• ChemBase ID: 342024
• Molecular Formular: C23H29N3O
• Molecular Mass: 363.49586
• Monoisotopic Mass: 363.23106256
• SMILES: C(=O)(N1CC2(CN(CC3CC3)CCC2)CC1)c1c2c(ncc1)ccc(c2)C
• Canonical SMILES: Cc1ccc2c(c1)c(ccn2)C(=O)N1CCC2(C1)CCCN(C2)CC1CC1
• InChI: InChI=1S/C23H29N3O/c1-17-3-6-21-20(13-17)19(7-10-24-21)22(27)26-12-9-23(16-26)8-2-11-25(15-23)14-18-4-5-18/h3,6-7,10,13,18H,2,4-5,8-9,11-12,14-16H2,1H3
• InChIKey: SGJBXEUMMQWGOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(cyclopropylmethyl)-2-(6-methylquinoline-4-carbonyl)-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-(cyclopropylmethyl)-2-(6-methylquinoline-4-carbonyl)-2,7-diazaspiro[4.5]decane
• Synonyms: 4-{[7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]dec-2-yl]carbonyl}-6-methylquinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.12743577
• LogD (pH = 7.4): 1.1201247
• Log P: 3.2706738
• Molar Refractivity: 108.6159 cm^3
• Polarizability: 43.01691 Å^3
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.36
• LOG S: -4.84
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 3