2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)-6,7-dimethoxyquinolin-4-amine

• ChemBase ID: 125572
• Molecular Formular: C22H25N3O4
• Molecular Mass: 395.4516
• Monoisotopic Mass: 395.1845063
• SMILES: COc1c(cc2CN(CCc2c1)c1nc2cc(c(cc2c(c1)N)OC)OC)OC
• Canonical SMILES: COc1cc2CCN(Cc2cc1OC)c1cc(N)c2c(n1)cc(c(c2)OC)OC
• InChI: InChI=1S/C22H25N3O4/c1-26-18-7-13-5-6-25(12-14(13)8-19(18)27-2)22-10-16(23)15-9-20(28-3)21(29-4)11-17(15)24-22/h7-11H,5-6,12H2,1-4H3,(H2,23,24)
• InChIKey: ANZIISNSHPKVRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)-6,7-dimethoxyquinolin-4-amine
• IUPAC Traditional name: abanoquil
• Synonyms: Abanoquil

Database IDs

• CAS Number: 90402-40-7
• PubChem SID: 162219922
• PubChem CID: 164089
• CHEMBL: 324090
• Chemspider ID: 143896
• Unique Ingredient Identifier: F738MWY53L
• Wikipedia Title: Abanoquil

CALCULATED PROPERTIES

• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): 1.294527
• LogD (pH = 7.4): 1.4952787
• Log P: 3.1381524
• Molar Refractivity: 113.1968 cm^3
• Polarizability: 43.583786 Å^3
• Polar Surface Area: 79.07 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true