5-(morpholin-4-yl)isoquinolin-8-amine

• ChemBase ID: 252575
• Molecular Formular: C13H15N3O
• Molecular Mass: 229.2777
• Monoisotopic Mass: 229.12151212
• SMILES: c1(c2c(c(cc1)N)cncc2)N1CCOCC1
• Canonical SMILES: Nc1ccc(c2c1cncc2)N1CCOCC1
• InChI: InChI=1S/C13H15N3O/c14-12-1-2-13(16-5-7-17-8-6-16)10-3-4-15-9-11(10)12/h1-4,9H,5-8,14H2
• InChIKey: XVSAZZQMIRKVJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(morpholin-4-yl)isoquinolin-8-amine
• IUPAC Traditional name: 5-(morpholin-4-yl)isoquinolin-8-amine
• Synonyms: 5-morpholin-4-ylisoquinolin-8-amine

Database IDs

• MDL Number: MFCD08444406
• PubChem SID: 164308485
• PubChem CID: 16227301

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.13252236
• LogD (pH = 7.4): 0.5588229
• Log P: 0.8056676
• Molar Refractivity: 68.5548 cm^3
• Polarizability: 26.553885 Å^3
• Polar Surface Area: 51.38 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.499

Product Information

• Purity: 95%