5-chloro-2-oxo-1H-quinoline-3-carbonitrile

C10H5ClN2O — CID 139530349

IUPAC5-chloro-2-oxo-1H-quinoline-3-carbonitrile
SMILESN#Cc1cc2c(Cl)cccc2[nH]c1=O
InChIInChI=1S/C10H5ClN2O/c11-8-2-1-3-9-7(8)4-6(5-12)10(14)13-9/h1-4H,(H,13,14)
InChIKeyLSYUKEPBOWFZLI-UHFFFAOYSA-N
MW204.62 g/mol
LogP2.05
Rot. Bonds

About 5-chloro-2-oxo-1H-quinoline-3-carbonitrile

5-chloro-2-oxo-1H-quinoline-3-carbonitrile (PubChem CID 139530349) has the molecular formula C10H5ClN2O and a molecular weight of 204.62 g/mol. Its IUPAC name is 5-chloro-2-oxo-1H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name5-chloro-2-oxo-1H-quinoline-3-carbonitrile
PubChem CID139530349
Molecular FormulaC10H5ClN2O
Molecular Weight204.62 g/mol
Exact Mass204.01
IUPAC Name5-chloro-2-oxo-1H-quinoline-3-carbonitrile
SMILESN#Cc1cc2c(Cl)cccc2[nH]c1=O
InChIInChI=1S/C10H5ClN2O/c11-8-2-1-3-9-7(8)4-6(5-12)10(14)13-9/h1-4H,(H,13,14)
InChIKeyLSYUKEPBOWFZLI-UHFFFAOYSA-N
XLogP2.05
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.62
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-chloro-2-oxo-1H-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

Related Compounds

5-chloro-2-oxo-1H-quinoline-3-carboxamide
CID 166443255
5-chloro-3-propan-2-yl-1H-quinolin-2-one
CID 138581131
2,4-dichloro-1H-indole
CID 54192783
2-oxo-1H-quinoline-3-carbonitrile;tribromoborane
CID 175799807
6-chloro-7-oxocyclohepta-1,3,5-triene-1-carbonitrile
CID 45120034
1-(3-chloro-2-fluorophenyl)-2,4-dioxopyrimidine-5-carbonitrile
CID 79876423
5-chloro-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile
CID 14211659
7-chloro-4-oxo-1H-quinoline-6-carbonitrile
CID 53418906
6-fluoro-2-oxo-1H-quinoline-3-carbonitrile
CID 22690302
2,5-dioxo-6-(2-phenoxyethyl)-1H-1,6-naphthyridine-3-carbonitrile
CID 56700653
4-chloro-2-[(E)-2-phenylethenyl]-1H-indole
CID 118657841
4-chloro-2-(chloromethyl)-1H-indole;ethane
CID 145335969

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-oxo-1H-quinoline-3-carbonitrile?
The IUPAC name of 5-chloro-2-oxo-1H-quinoline-3-carbonitrile (CID 139530349) is 5-chloro-2-oxo-1H-quinoline-3-carbonitrile.
What is the SMILES notation for 5-chloro-2-oxo-1H-quinoline-3-carbonitrile?
The canonical SMILES for 5-chloro-2-oxo-1H-quinoline-3-carbonitrile is N#Cc1cc2c(Cl)cccc2[nH]c1=O.
What is the InChIKey of 5-chloro-2-oxo-1H-quinoline-3-carbonitrile?
The InChIKey is LSYUKEPBOWFZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClN2O/c11-8-2-1-3-9-7(8)4-6(5-12)10(14)13-9/h1-4H,(H,13,14).
What are the key properties of 5-chloro-2-oxo-1H-quinoline-3-carbonitrile?
5-chloro-2-oxo-1H-quinoline-3-carbonitrile has a molecular weight of 204.62 g/mol, XLogP of 2.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-oxo-1H-quinoline-3-carbonitrile is sourced from PubChem (CID 139530349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).