7-(4-chlorobutyl)-3,3,6-trimethyl-1H,2H,3H,4H,7H-indolo[2,3-c]quinoline

• ChemBase ID: 180766
• Molecular Formular: C22H27ClN2
• Molecular Mass: 354.91618
• Monoisotopic Mass: 354.18627655
• SMILES: n1(c2c(c3c1cccc3)c1c(nc2C)CC(CC1)(C)C)CCCCCl
• Canonical SMILES: ClCCCCn1c2c(C)nc3c(c2c2c1cccc2)CCC(C3)(C)C
• InChI: InChI=1S/C22H27ClN2/c1-15-21-20(16-10-11-22(2,3)14-18(16)24-15)17-8-4-5-9-19(17)25(21)13-7-6-12-23/h4-5,8-9H,6-7,10-14H2,1-3H3
• InChIKey: QWVQFIUTMKLBMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(4-chlorobutyl)-3,3,6-trimethyl-1H,2H,3H,4H,7H-indolo[2,3-c]quinoline
• IUPAC Traditional name: 7-(4-chlorobutyl)-3,3,6-trimethyl-1H,2H,4H-indolo[2,3-c]quinoline

Database IDs

• PubChem SID: 164236676
• PubChem CID: 3708683

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.4036336
• LogD (pH = 7.4): 5.334111
• Log P: 5.383308
• Molar Refractivity: 105.7389 cm^3
• Polarizability: 43.26227 Å^3
• Polar Surface Area: 17.82 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds