2,4-dichloro-3-(morpholin-4-yl)quinoline

• ChemBase ID: 83768
• Molecular Formular: C13H12Cl2N2O
• Molecular Mass: 283.15318
• Monoisotopic Mass: 282.03266837
• SMILES: n1c(c(c(c2c1cccc2)Cl)N1CCOCC1)Cl
• Canonical SMILES: Clc1nc2ccccc2c(c1N1CCOCC1)Cl
• InChI: InChI=1S/C13H12Cl2N2O/c14-11-9-3-1-2-4-10(9)16-13(15)12(11)17-5-7-18-8-6-17/h1-4H,5-8H2
• InChIKey: QQFUDKNYNXHHSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-3-(morpholin-4-yl)quinoline
• IUPAC Traditional name: 2,4-dichloro-3-(morpholin-4-yl)quinoline
• Synonyms: 4-(2,4-dichloro-3-quinolyl)morpholine

Database IDs

• MDL Number: MFCD00179941
• PubChem SID: 162070885
• PubChem CID: 2780902

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.4487095
• LogD (pH = 7.4): 3.4487104
• Log P: 3.4487104
• Molar Refractivity: 74.1533 cm^3
• Polarizability: 29.225264 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true