1-(2,3-dihydro-1H-inden-2-yl)-N-[(2-methoxyquinolin-3-yl)methyl]piperidin-3-amine

• ChemBase ID: 786367
• Molecular Formular: C25H29N3O
• Molecular Mass: 387.51726
• Monoisotopic Mass: 387.23106256
• SMILES: n1c(c(cc2c1cccc2)CNC1CN(C2Cc3c(C2)cccc3)CCC1)OC
• Canonical SMILES: COc1nc2ccccc2cc1CNC1CCCN(C1)C1Cc2c(C1)cccc2
• InChI: InChI=1S/C25H29N3O/c1-29-25-21(13-20-9-4-5-11-24(20)27-25)16-26-22-10-6-12-28(17-22)23-14-18-7-2-3-8-19(18)15-23/h2-5,7-9,11,13,22-23,26H,6,10,12,14-17H2,1H3
• InChIKey: SFTDZHAOUZJDEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,3-dihydro-1H-inden-2-yl)-N-[(2-methoxyquinolin-3-yl)methyl]piperidin-3-amine
• IUPAC Traditional name: 1-(2,3-dihydro-1H-inden-2-yl)-N-[(2-methoxyquinolin-3-yl)methyl]piperidin-3-amine
• Synonyms: 1-(2,3-dihydro-1H-inden-2-yl)-N-[(2-methoxy-3-quinolinyl)methyl]-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.39133
• LogD (pH = 7.4): 3.0135744
• Log P: 4.7230344
• Molar Refractivity: 117.5817 cm^3
• Polarizability: 47.159824 Å^3
• Polar Surface Area: 37.39 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.93
• LOG S: -4.87
• Polar Surface Area: 37.39 Å^2
• Rotatable Bonds: 4