7-(cyclopropylmethyl)-2-(quinoline-6-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 402093
• Molecular Formular: C22H25N3O2
• Molecular Mass: 363.4528
• Monoisotopic Mass: 363.19467706
• SMILES: C12(C(=O)N(CC3CC3)CCC2)CN(C(=O)c2cc3c(nccc3)cc2)CC1
• Canonical SMILES: O=C1N(CCCC21CCN(C2)C(=O)c1ccc2c(c1)cccn2)CC1CC1
• InChI: InChI=1S/C22H25N3O2/c26-20(18-6-7-19-17(13-18)3-1-10-23-19)25-12-9-22(15-25)8-2-11-24(21(22)27)14-16-4-5-16/h1,3,6-7,10,13,16H,2,4-5,8-9,11-12,14-15H2
• InChIKey: QTNCHEXJLSNQBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(cyclopropylmethyl)-2-(quinoline-6-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-(cyclopropylmethyl)-2-(quinoline-6-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(cyclopropylmethyl)-2-(quinolin-6-ylcarbonyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1481097
• LogD (pH = 7.4): 2.1612093
• Log P: 2.161379
• Molar Refractivity: 103.406 cm^3
• Polarizability: 40.896935 Å^3
• Polar Surface Area: 53.51 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: 1.32
• LOG S: -2.98
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 3