2,4-dimethyl-2H,3H-thieno[3,2-c]quinoline

• ChemBase ID: 183600
• Molecular Formular: C13H13NS
• Molecular Mass: 215.31402
• Monoisotopic Mass: 215.07687042
• SMILES: c12c(c(nc3c2cccc3)C)CC(S1)C
• Canonical SMILES: CC1Cc2c(S1)c1ccccc1nc2C
• InChI: InChI=1S/C13H13NS/c1-8-7-11-9(2)14-12-6-4-3-5-10(12)13(11)15-8/h3-6,8H,7H2,1-2H3
• InChIKey: RVGBMSYNVQPMRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dimethyl-2H,3H-thieno[3,2-c]quinoline
• IUPAC Traditional name: 2,4-dimethyl-2H,3H-thieno[3,2-c]quinoline

Database IDs

• PubChem SID: 164239510
• PubChem CID: 3117152

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.8676276
• LogD (pH = 7.4): 3.1346016
• Log P: 3.1393955
• Molar Refractivity: 65.1565 cm^3
• Polarizability: 26.554192 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds