2-(2-bromomorpholin-4-yl)quinoline-3-carbonitrile

C14H12BrN3O — CID 174844551

IUPAC2-(2-bromomorpholin-4-yl)quinoline-3-carbonitrile
SMILESN#Cc1cc2ccccc2nc1N1CCOC(Br)C1
InChIInChI=1S/C14H12BrN3O/c15-13-9-18(5-6-19-13)14-11(8-16)7-10-3-1-2-4-12(10)17-14/h1-4,7,13H,5-6,9H2
InChIKeyOIADZENHXQMTML-UHFFFAOYSA-N
MW318.17 g/mol
LogP2.66
Rot. Bonds1

About 2-(2-bromomorpholin-4-yl)quinoline-3-carbonitrile

2-(2-bromomorpholin-4-yl)quinoline-3-carbonitrile (PubChem CID 174844551) has the molecular formula C14H12BrN3O and a molecular weight of 318.17 g/mol. Its IUPAC name is 2-(2-bromomorpholin-4-yl)quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-(2-bromomorpholin-4-yl)quinoline-3-carbonitrile
PubChem CID174844551
Molecular FormulaC14H12BrN3O
Molecular Weight318.17 g/mol
Exact Mass317.02
IUPAC Name2-(2-bromomorpholin-4-yl)quinoline-3-carbonitrile
SMILESN#Cc1cc2ccccc2nc1N1CCOC(Br)C1
InChIInChI=1S/C14H12BrN3O/c15-13-9-18(5-6-19-13)14-11(8-16)7-10-3-1-2-4-12(10)17-14/h1-4,7,13H,5-6,9H2
InChIKeyOIADZENHXQMTML-UHFFFAOYSA-N
XLogP2.66
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-(2-bromomorpholin-4-yl)quinoline-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromomorpholin-4-yl)quinoline-3-carbonitrile?
The IUPAC name of 2-(2-bromomorpholin-4-yl)quinoline-3-carbonitrile (CID 174844551) is 2-(2-bromomorpholin-4-yl)quinoline-3-carbonitrile.
What is the SMILES notation for 2-(2-bromomorpholin-4-yl)quinoline-3-carbonitrile?
The canonical SMILES for 2-(2-bromomorpholin-4-yl)quinoline-3-carbonitrile is N#Cc1cc2ccccc2nc1N1CCOC(Br)C1.
What is the InChIKey of 2-(2-bromomorpholin-4-yl)quinoline-3-carbonitrile?
The InChIKey is OIADZENHXQMTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O/c15-13-9-18(5-6-19-13)14-11(8-16)7-10-3-1-2-4-12(10)17-14/h1-4,7,13H,5-6,9H2.
What are the key properties of 2-(2-bromomorpholin-4-yl)quinoline-3-carbonitrile?
2-(2-bromomorpholin-4-yl)quinoline-3-carbonitrile has a molecular weight of 318.17 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromomorpholin-4-yl)quinoline-3-carbonitrile is sourced from PubChem (CID 174844551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).