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

• ChemBase ID: 181298
• Molecular Formular: C14H15NOS
• Molecular Mass: 245.34
• Monoisotopic Mass: 245.08743511
• SMILES: c12c(c(nc3c1cccc3OC)C)CC(S2)C
• Canonical SMILES: COc1cccc2c1nc(C)c1c2SC(C1)C
• InChI: InChI=1S/C14H15NOS/c1-8-7-11-9(2)15-13-10(14(11)17-8)5-4-6-12(13)16-3/h4-6,8H,7H2,1-3H3
• InChIKey: YYPPVHYJGCMWKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-2,4-dimethyl-2H,3H-thieno[3,2-c]quinoline
• IUPAC Traditional name: 6-methoxy-2,4-dimethyl-2H,3H-thieno[3,2-c]quinoline

Database IDs

• PubChem SID: 164237208
• PubChem CID: 2862083

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.974346
• LogD (pH = 7.4): 2.9816303
• Log P: 2.981724
• Molar Refractivity: 71.6197 cm^3
• Polarizability: 29.028618 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds