6-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine-1-carbonyl]quinoline

• ChemBase ID: 503222
• Molecular Formular: C24H25N3O
• Molecular Mass: 371.4748
• Monoisotopic Mass: 371.19976244
• SMILES: C(=O)(N1CCN(C2Cc3c(CC2)cccc3)CC1)c1cc2c(nccc2)cc1
• Canonical SMILES: O=C(c1ccc2c(c1)cccn2)N1CCN(CC1)C1CCc2c(C1)cccc2
• InChI: InChI=1S/C24H25N3O/c28-24(21-8-10-23-20(16-21)6-3-11-25-23)27-14-12-26(13-15-27)22-9-7-18-4-1-2-5-19(18)17-22/h1-6,8,10-11,16,22H,7,9,12-15,17H2
• InChIKey: UPLNORYRTPQTDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine-1-carbonyl]quinoline
• IUPAC Traditional name: 6-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine-1-carbonyl]quinoline
• Synonyms: 6-{[4-(1,2,3,4-tetrahydro-2-naphthalenyl)-1-piperazinyl]carbonyl}quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6876837
• LogD (pH = 7.4): 3.3888004
• Log P: 3.833371
• Molar Refractivity: 111.8496 cm^3
• Polarizability: 44.07089 Å^3
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.84
• LOG S: -4.33
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 2