7-chloro-4-oxo-1H-quinoline-2-carbonitrile

C10H5ClN2O — CID 15877340

IUPAC7-chloro-4-oxo-1H-quinoline-2-carbonitrile
SMILESN#Cc1cc(=O)c2ccc(Cl)cc2[nH]1
InChIInChI=1S/C10H5ClN2O/c11-6-1-2-8-9(3-6)13-7(5-12)4-10(8)14/h1-4H,(H,13,14)
InChIKeyWENNVZCISVLXHM-UHFFFAOYSA-N
MW204.62 g/mol
LogP2.05
Rot. Bonds

About 7-chloro-4-oxo-1H-quinoline-2-carbonitrile

7-chloro-4-oxo-1H-quinoline-2-carbonitrile (PubChem CID 15877340) has the molecular formula C10H5ClN2O and a molecular weight of 204.62 g/mol. Its IUPAC name is 7-chloro-4-oxo-1H-quinoline-2-carbonitrile.

Molecular Properties

Compound Name7-chloro-4-oxo-1H-quinoline-2-carbonitrile
PubChem CID15877340
Molecular FormulaC10H5ClN2O
Molecular Weight204.62 g/mol
Exact Mass204.01
IUPAC Name7-chloro-4-oxo-1H-quinoline-2-carbonitrile
SMILESN#Cc1cc(=O)c2ccc(Cl)cc2[nH]1
InChIInChI=1S/C10H5ClN2O/c11-6-1-2-8-9(3-6)13-7(5-12)4-10(8)14/h1-4H,(H,13,14)
InChIKeyWENNVZCISVLXHM-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 7-chloro-4-oxo-1H-quinoline-2-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 7-chloro-4-oxo-1H-quinoline-2-carbonitrile?
The IUPAC name of 7-chloro-4-oxo-1H-quinoline-2-carbonitrile (CID 15877340) is 7-chloro-4-oxo-1H-quinoline-2-carbonitrile.
What is the SMILES notation for 7-chloro-4-oxo-1H-quinoline-2-carbonitrile?
The canonical SMILES for 7-chloro-4-oxo-1H-quinoline-2-carbonitrile is N#Cc1cc(=O)c2ccc(Cl)cc2[nH]1.
What is the InChIKey of 7-chloro-4-oxo-1H-quinoline-2-carbonitrile?
The InChIKey is WENNVZCISVLXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClN2O/c11-6-1-2-8-9(3-6)13-7(5-12)4-10(8)14/h1-4H,(H,13,14).
What are the key properties of 7-chloro-4-oxo-1H-quinoline-2-carbonitrile?
7-chloro-4-oxo-1H-quinoline-2-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 7-chloro-4-oxo-1H-quinoline-2-carbonitrile is sourced from PubChem (CID 15877340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).