6-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-2,3-dimethylquinoxaline

• ChemBase ID: 227414
• Molecular Formular: C22H23N3O3
• Molecular Mass: 377.43632
• Monoisotopic Mass: 377.17394161
• SMILES: N1(C(=O)c2cc3nc(c(nc3cc2)C)C)Cc2c(cc(c(c2)OC)OC)CC1
• Canonical SMILES: COc1cc2CN(CCc2cc1OC)C(=O)c1ccc2c(c1)nc(c(n2)C)C
• InChI: InChI=1S/C22H23N3O3/c1-13-14(2)24-19-9-16(5-6-18(19)23-13)22(26)25-8-7-15-10-20(27-3)21(28-4)11-17(15)12-25/h5-6,9-11H,7-8,12H2,1-4H3
• InChIKey: YJHQAWPAJOINGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-2,3-dimethylquinoxaline
• IUPAC Traditional name: 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2,3-dimethylquinoxaline

Database IDs

• PubChem SID: 164283324
• PubChem CID: 71683951

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.3087544
• LogD (pH = 7.4): 2.3088293
• Log P: 2.3088303
• Molar Refractivity: 106.3538 cm^3
• Polarizability: 41.834957 Å^3
• Polar Surface Area: 64.55 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds