6-chloro-2-(1,2-oxazolidin-2-yl)quinoline-4-carbonitrile

C13H10ClN3O — CID 75455040

IUPAC6-chloro-2-(1,2-oxazolidin-2-yl)quinoline-4-carbonitrile
SMILESN#Cc1cc(N2CCCO2)nc2ccc(Cl)cc12
InChIInChI=1S/C13H10ClN3O/c14-10-2-3-12-11(7-10)9(8-15)6-13(16-12)17-4-1-5-18-17/h2-3,6-7H,1,4-5H2
InChIKeyKYBNBWHKTSRVKO-UHFFFAOYSA-N
MW259.70 g/mol
LogP2.90
Rot. Bonds1

About 6-chloro-2-(1,2-oxazolidin-2-yl)quinoline-4-carbonitrile

6-chloro-2-(1,2-oxazolidin-2-yl)quinoline-4-carbonitrile (PubChem CID 75455040) has the molecular formula C13H10ClN3O and a molecular weight of 259.70 g/mol. Its IUPAC name is 6-chloro-2-(1,2-oxazolidin-2-yl)quinoline-4-carbonitrile.

Molecular Properties

Compound Name6-chloro-2-(1,2-oxazolidin-2-yl)quinoline-4-carbonitrile
PubChem CID75455040
Molecular FormulaC13H10ClN3O
Molecular Weight259.70 g/mol
Exact Mass259.05
IUPAC Name6-chloro-2-(1,2-oxazolidin-2-yl)quinoline-4-carbonitrile
SMILESN#Cc1cc(N2CCCO2)nc2ccc(Cl)cc12
InChIInChI=1S/C13H10ClN3O/c14-10-2-3-12-11(7-10)9(8-15)6-13(16-12)17-4-1-5-18-17/h2-3,6-7H,1,4-5H2
InChIKeyKYBNBWHKTSRVKO-UHFFFAOYSA-N
XLogP2.90
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-chloro-2-(1,2-oxazolidin-2-yl)quinoline-4-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 6-chloro-2-(1,2-oxazolidin-2-yl)quinoline-4-carbonitrile?
The IUPAC name of 6-chloro-2-(1,2-oxazolidin-2-yl)quinoline-4-carbonitrile (CID 75455040) is 6-chloro-2-(1,2-oxazolidin-2-yl)quinoline-4-carbonitrile.
What is the SMILES notation for 6-chloro-2-(1,2-oxazolidin-2-yl)quinoline-4-carbonitrile?
The canonical SMILES for 6-chloro-2-(1,2-oxazolidin-2-yl)quinoline-4-carbonitrile is N#Cc1cc(N2CCCO2)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-2-(1,2-oxazolidin-2-yl)quinoline-4-carbonitrile?
The InChIKey is KYBNBWHKTSRVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O/c14-10-2-3-12-11(7-10)9(8-15)6-13(16-12)17-4-1-5-18-17/h2-3,6-7H,1,4-5H2.
What are the key properties of 6-chloro-2-(1,2-oxazolidin-2-yl)quinoline-4-carbonitrile?
6-chloro-2-(1,2-oxazolidin-2-yl)quinoline-4-carbonitrile has a molecular weight of 259.70 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(1,2-oxazolidin-2-yl)quinoline-4-carbonitrile is sourced from PubChem (CID 75455040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).