3-ethyl-2-propylbenzo[h]quinoline

• ChemBase ID: 183965
• Molecular Formular: C18H19N
• Molecular Mass: 249.35016
• Monoisotopic Mass: 249.15174961
• SMILES: n1c2c(cc(c1CCC)CC)ccc1c2cccc1
• Canonical SMILES: CCCc1nc2c(cc1CC)ccc1c2cccc1
• InChI: InChI=1S/C18H19N/c1-3-7-17-13(4-2)12-15-11-10-14-8-5-6-9-16(14)18(15)19-17/h5-6,8-12H,3-4,7H2,1-2H3
• InChIKey: TZADNQRCIVSRSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethyl-2-propylbenzo[h]quinoline
• IUPAC Traditional name: 3-ethyl-2-propylbenzo[h]quinoline

Database IDs

• PubChem SID: 164239875
• PubChem CID: 1778703

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.3213625
• LogD (pH = 7.4): 5.3544035
• Log P: 5.354842
• Molar Refractivity: 79.8911 cm^3
• Polarizability: 33.793602 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds