6-chloro-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile

C20H16ClN5O — CID 133318930

IUPAC6-chloro-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccc(Cl)cc2c1N1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C20H16ClN5O/c21-16-3-4-18-17(10-16)19(15(11-22)13-24-18)25-6-8-26(9-7-25)20(27)14-2-1-5-23-12-14/h1-5,10,12-13H,6-9H2
InChIKeyOAPPWKLFLWLPRO-UHFFFAOYSA-N
MW377.84 g/mol
LogP3.12
Rot. Bonds2

About 6-chloro-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile

6-chloro-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile (PubChem CID 133318930) has the molecular formula C20H16ClN5O and a molecular weight of 377.84 g/mol. Its IUPAC name is 6-chloro-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-chloro-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
PubChem CID133318930
Molecular FormulaC20H16ClN5O
Molecular Weight377.84 g/mol
Exact Mass377.10
IUPAC Name6-chloro-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccc(Cl)cc2c1N1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C20H16ClN5O/c21-16-3-4-18-17(10-16)19(15(11-22)13-24-18)25-6-8-26(9-7-25)20(27)14-2-1-5-23-12-14/h1-5,10,12-13H,6-9H2
InChIKeyOAPPWKLFLWLPRO-UHFFFAOYSA-N
XLogP3.12
TPSA73.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.84
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-chloro-4-[4-(pyridine-3-carbonyl)piperazin-1-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

Related Compounds

methyl 4-(6-chloro-3-cyanoquinolin-4-yl)piperazine-1-carboxylate
CID 133319825
6-chloro-4-[4-(2-phenylacetyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 133328448
6-chloro-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepan-1-yl]quinoline-3-carbonitrile
CID 133316678
4-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]quinoline-3-carbonitrile
CID 133306262
1-(6-chloro-3-cyanoquinolin-4-yl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 133329172
[4-(5-chloro-2-pyridinyl)-1,4-diazepan-1-yl]-pyridin-3-ylmethanone
CID 138809682
2-[4-(pyridine-3-carbonyl)piperazin-1-yl]-5-(trifluoromethyl)benzonitrile
CID 133359772
4-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-6-chloroquinoline-3-carbonitrile
CID 133323060
[6-chloro-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-3-yl]-piperidin-1-ylmethanone
CID 71825143
(3,4-dichlorophenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 39565978
6-fluoro-4-[4-(3-fluorobenzoyl)piperazin-1-yl]-8-methylquinoline-3-carbonitrile
CID 133310198
[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 113076863

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile?
The IUPAC name of 6-chloro-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile (CID 133318930) is 6-chloro-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile.
What is the SMILES notation for 6-chloro-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile?
The canonical SMILES for 6-chloro-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile is N#Cc1cnc2ccc(Cl)cc2c1N1CCN(C(=O)c2cccnc2)CC1.
What is the InChIKey of 6-chloro-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile?
The InChIKey is OAPPWKLFLWLPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O/c21-16-3-4-18-17(10-16)19(15(11-22)13-24-18)25-6-8-26(9-7-25)20(27)14-2-1-5-23-12-14/h1-5,10,12-13H,6-9H2.
What are the key properties of 6-chloro-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile?
6-chloro-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile has a molecular weight of 377.84 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile is sourced from PubChem (CID 133318930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).