4-chloro-2-oxo-3H-quinoline-3-carbonitrile

C10H5ClN2O — CID 71651365

IUPAC4-chloro-2-oxo-3H-quinoline-3-carbonitrile
SMILESN#CC1C(=O)N=c2ccccc2=C1Cl
InChIInChI=1S/C10H5ClN2O/c11-9-6-3-1-2-4-8(6)13-10(14)7(9)5-12/h1-4,7H
InChIKeyJTYHYAPUWZHJCH-UHFFFAOYSA-N
MW204.62 g/mol
LogP0.33
Rot. Bonds

About 4-chloro-2-oxo-3H-quinoline-3-carbonitrile

4-chloro-2-oxo-3H-quinoline-3-carbonitrile (PubChem CID 71651365) has the molecular formula C10H5ClN2O and a molecular weight of 204.62 g/mol. Its IUPAC name is 4-chloro-2-oxo-3H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-chloro-2-oxo-3H-quinoline-3-carbonitrile
PubChem CID71651365
Molecular FormulaC10H5ClN2O
Molecular Weight204.62 g/mol
Exact Mass204.01
IUPAC Name4-chloro-2-oxo-3H-quinoline-3-carbonitrile
SMILESN#CC1C(=O)N=c2ccccc2=C1Cl
InChIInChI=1S/C10H5ClN2O/c11-9-6-3-1-2-4-8(6)13-10(14)7(9)5-12/h1-4,7H
InChIKeyJTYHYAPUWZHJCH-UHFFFAOYSA-N
XLogP0.33
TPSA53.22 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.62
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-chloro-2-oxo-3H-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

6-chloro-3H-quinolin-2-one
CID 57098757
6-chloro-3-methyl-3H-quinolin-2-one
CID 57222718
4-chloro-6-methyl-2-oxo-3H-quinoline-3-carbonitrile
CID 90959534
5,7-dichloro-3H-quinolin-2-one
CID 175345147
3-(chloromethyl)-3H-quinolin-2-one
CID 45024998
6-chloro-3-(chloromethyl)-3H-quinolin-2-one
CID 45025212
6-bromo-2-oxo-3H-quinoline-3-carbonitrile
CID 45025993
2-oxo-6H-quinoline-6-carbonitrile
CID 71302598
2-oxo-3H-quinoline-3-carbonitrile
CID 71302972
6-chloro-2-oxo-4aH-quinoline-3-carbonitrile
CID 73663961
4-chloro-2-oxo-4aH-quinoline-3-carbonitrile
CID 76845378
2-(7-chloro-4-oxo-4aH-quinazolin-2-yl)acetonitrile
CID 85432783

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-oxo-3H-quinoline-3-carbonitrile?
The IUPAC name of 4-chloro-2-oxo-3H-quinoline-3-carbonitrile (CID 71651365) is 4-chloro-2-oxo-3H-quinoline-3-carbonitrile.
What is the SMILES notation for 4-chloro-2-oxo-3H-quinoline-3-carbonitrile?
The canonical SMILES for 4-chloro-2-oxo-3H-quinoline-3-carbonitrile is N#CC1C(=O)N=c2ccccc2=C1Cl.
What is the InChIKey of 4-chloro-2-oxo-3H-quinoline-3-carbonitrile?
The InChIKey is JTYHYAPUWZHJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClN2O/c11-9-6-3-1-2-4-8(6)13-10(14)7(9)5-12/h1-4,7H.
What are the key properties of 4-chloro-2-oxo-3H-quinoline-3-carbonitrile?
4-chloro-2-oxo-3H-quinoline-3-carbonitrile has a molecular weight of 204.62 g/mol, XLogP of 0.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-oxo-3H-quinoline-3-carbonitrile is sourced from PubChem (CID 71651365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).