2-(1,2,3,4-tetrahydroisoquinolin-2-yl)quinolin-6-amine

• ChemBase ID: 244068
• Molecular Formular: C18H17N3
• Molecular Mass: 275.34768
• Monoisotopic Mass: 275.14224756
• SMILES: N1(c2nc3c(cc(N)cc3)cc2)Cc2c(CC1)cccc2
• Canonical SMILES: Nc1ccc2c(c1)ccc(n2)N1CCc2c(C1)cccc2
• InChI: InChI=1S/C18H17N3/c19-16-6-7-17-14(11-16)5-8-18(20-17)21-10-9-13-3-1-2-4-15(13)12-21/h1-8,11H,9-10,12,19H2
• InChIKey: SKRGCTJNNKTVIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1,2,3,4-tetrahydroisoquinolin-2-yl)quinolin-6-amine
• IUPAC Traditional name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)quinolin-6-amine
• Synonyms: 2-(1,2,3,4-tetrahydroisoquinolin-2-yl)quinolin-6-amine

Database IDs

• MDL Number: MFCD13698780
• PubChem SID: 164299978
• PubChem CID: 43450798

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.9955006
• LogD (pH = 7.4): 3.7407966
• Log P: 3.7688375
• Molar Refractivity: 87.344 cm^3
• Polarizability: 33.609314 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.524

Product Information

• Purity: 95%