6-chloro-4-[4-(2-phenylacetyl)piperazin-1-yl]quinoline-3-carbonitrile

C22H19ClN4O — CID 133328448

IUPAC6-chloro-4-[4-(2-phenylacetyl)piperazin-1-yl]quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccc(Cl)cc2c1N1CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C22H19ClN4O/c23-18-6-7-20-19(13-18)22(17(14-24)15-25-20)27-10-8-26(9-11-27)21(28)12-16-4-2-1-3-5-16/h1-7,13,15H,8-12H2
InChIKeyIGPOTMWULXHGPQ-UHFFFAOYSA-N
MW390.87 g/mol
LogP3.65
Rot. Bonds3

About 6-chloro-4-[4-(2-phenylacetyl)piperazin-1-yl]quinoline-3-carbonitrile

6-chloro-4-[4-(2-phenylacetyl)piperazin-1-yl]quinoline-3-carbonitrile (PubChem CID 133328448) has the molecular formula C22H19ClN4O and a molecular weight of 390.87 g/mol. Its IUPAC name is 6-chloro-4-[4-(2-phenylacetyl)piperazin-1-yl]quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-chloro-4-[4-(2-phenylacetyl)piperazin-1-yl]quinoline-3-carbonitrile
PubChem CID133328448
Molecular FormulaC22H19ClN4O
Molecular Weight390.87 g/mol
Exact Mass390.12
IUPAC Name6-chloro-4-[4-(2-phenylacetyl)piperazin-1-yl]quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccc(Cl)cc2c1N1CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C22H19ClN4O/c23-18-6-7-20-19(13-18)22(17(14-24)15-25-20)27-10-8-26(9-11-27)21(28)12-16-4-2-1-3-5-16/h1-7,13,15H,8-12H2
InChIKeyIGPOTMWULXHGPQ-UHFFFAOYSA-N
XLogP3.65
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(6-chloro-3-cyanoquinolin-4-yl)piperazine-1-carboxylate
CID 133319825
6-chloro-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 133318930
6-chloro-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepan-1-yl]quinoline-3-carbonitrile
CID 133316678
1-(6-chloro-3-cyanoquinolin-4-yl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 133329172
6-(difluoromethoxy)-4-(4-propanoylpiperazin-1-yl)quinoline-3-carbonitrile
CID 133285331
2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-6-nitroquinoline-4-carbonitrile
CID 133324778
4-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]quinoline-3-carbonitrile
CID 133306262
4-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-6-chloroquinoline-3-carbonitrile
CID 133323060
6-chloro-4-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline-3-carbonitrile
CID 133448600
2-[[4-(6-chloro-3-cyanoquinolin-4-yl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 122052022
6-chloro-4-[(1-propanoylpyrrolidin-3-yl)amino]quinoline-3-carbonitrile
CID 133366599
1-[4-(7-chloro-2-phenylquinazolin-4-yl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 24720193

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[4-(2-phenylacetyl)piperazin-1-yl]quinoline-3-carbonitrile?
The IUPAC name of 6-chloro-4-[4-(2-phenylacetyl)piperazin-1-yl]quinoline-3-carbonitrile (CID 133328448) is 6-chloro-4-[4-(2-phenylacetyl)piperazin-1-yl]quinoline-3-carbonitrile.
What is the SMILES notation for 6-chloro-4-[4-(2-phenylacetyl)piperazin-1-yl]quinoline-3-carbonitrile?
The canonical SMILES for 6-chloro-4-[4-(2-phenylacetyl)piperazin-1-yl]quinoline-3-carbonitrile is N#Cc1cnc2ccc(Cl)cc2c1N1CCN(C(=O)Cc2ccccc2)CC1.
What is the InChIKey of 6-chloro-4-[4-(2-phenylacetyl)piperazin-1-yl]quinoline-3-carbonitrile?
The InChIKey is IGPOTMWULXHGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O/c23-18-6-7-20-19(13-18)22(17(14-24)15-25-20)27-10-8-26(9-11-27)21(28)12-16-4-2-1-3-5-16/h1-7,13,15H,8-12H2.
What are the key properties of 6-chloro-4-[4-(2-phenylacetyl)piperazin-1-yl]quinoline-3-carbonitrile?
6-chloro-4-[4-(2-phenylacetyl)piperazin-1-yl]quinoline-3-carbonitrile has a molecular weight of 390.87 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[4-(2-phenylacetyl)piperazin-1-yl]quinoline-3-carbonitrile is sourced from PubChem (CID 133328448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).