3-({[3-(morpholin-4-yl)propyl]amino}methyl)-1-(prop-2-en-1-yl)-1H,2H,6H,7H,8H-cyclopenta[g]quinolin-2-one

• ChemBase ID: 314513
• Molecular Formular: C23H31N3O2
• Molecular Mass: 381.51114
• Monoisotopic Mass: 381.24162725
• SMILES: n1(c(=O)c(cc2c1cc1c(c2)CCC1)CNCCCN1CCOCC1)CC=C
• Canonical SMILES: C=CCn1c(=O)c(CNCCCN2CCOCC2)cc2c1cc1CCCc1c2
• InChI: InChI=1S/C23H31N3O2/c1-2-8-26-22-16-19-6-3-5-18(19)14-20(22)15-21(23(26)27)17-24-7-4-9-25-10-12-28-13-11-25/h2,14-16,24H,1,3-13,17H2
• InChIKey: PLOVLMFUPKLPJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-({[3-(morpholin-4-yl)propyl]amino}methyl)-1-(prop-2-en-1-yl)-1H,2H,6H,7H,8H-cyclopenta[g]quinolin-2-one
• IUPAC Traditional name: 3-({[3-(morpholin-4-yl)propyl]amino}methyl)-1-(prop-2-en-1-yl)-6H,7H,8H-cyclopenta[g]quinolin-2-one
• Synonyms: 1-allyl-3-({[3-(4-morpholinyl)propyl]amino}methyl)-1,6,7,8-tetrahydro-2H-cyclopenta[g]quinolin-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.3159982
• LogD (pH = 7.4): 0.7327869
• Log P: 2.5007255
• Molar Refractivity: 114.9619 cm^3
• Polarizability: 43.829548 Å^3
• Polar Surface Area: 44.81 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.04
• LOG S: -2.44
• Polar Surface Area: 46.5 Å^2
• Rotatable Bonds: 8