2-butyl-3-pentylbenzo[f]quinoline

• ChemBase ID: 184723
• Molecular Formular: C22H27N
• Molecular Mass: 305.45648
• Monoisotopic Mass: 305.21434987
• SMILES: n1c2c(cc(c1CCCCC)CCCC)c1c(cc2)cccc1
• Canonical SMILES: CCCCc1cc2c(nc1CCCCC)ccc1c2cccc1
• InChI: InChI=1S/C22H27N/c1-3-5-7-13-21-18(10-6-4-2)16-20-19-12-9-8-11-17(19)14-15-22(20)23-21/h8-9,11-12,14-16H,3-7,10,13H2,1-2H3
• InChIKey: AUFZRIJIGQUPDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-butyl-3-pentylbenzo[f]quinoline
• IUPAC Traditional name: 2-butyl-3-pentylbenzo[f]quinoline

Database IDs

• PubChem SID: 164240633
• PubChem CID: 1787983

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 7.006349
• LogD (pH = 7.4): 7.1312575
• Log P: 7.1331167
• Molar Refractivity: 98.2951 cm^3
• Polarizability: 41.16699 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds