1-benzyl-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile

C28H23ClN4O2 — CID 58799195

IUPAC1-benzyl-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile
SMILESN#Cc1c(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c2ccccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C28H23ClN4O2/c29-22-12-10-21(11-13-22)27(34)32-16-14-31(15-17-32)26-23-8-4-5-9-25(23)33(28(35)24(26)18-30)19-20-6-2-1-3-7-20/h1-13H,14-17,19H2
InChIKeyBNUGLWGGUJYKDI-UHFFFAOYSA-N
MW482.97 g/mol
LogP4.54
Rot. Bonds4

About 1-benzyl-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile

1-benzyl-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile (PubChem CID 58799195) has the molecular formula C28H23ClN4O2 and a molecular weight of 482.97 g/mol. Its IUPAC name is 1-benzyl-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile.

Molecular Properties

Compound Name1-benzyl-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile
PubChem CID58799195
Molecular FormulaC28H23ClN4O2
Molecular Weight482.97 g/mol
Exact Mass482.15
IUPAC Name1-benzyl-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile
SMILESN#Cc1c(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c2ccccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C28H23ClN4O2/c29-22-12-10-21(11-13-22)27(34)32-16-14-31(15-17-32)26-23-8-4-5-9-25(23)33(28(35)24(26)18-30)19-20-6-2-1-3-7-20/h1-13H,14-17,19H2
InChIKeyBNUGLWGGUJYKDI-UHFFFAOYSA-N
XLogP4.54
TPSA69.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.97
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

azane;1-benzyl-4-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile
CID 162306393
1-benzyl-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxo-1,8-naphthyridine-3-carbonitrile
CID 59699648
4-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-[3-(dimethylamino)propyl]-2-oxoquinoline-3-carbonitrile
CID 58799186
4-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carbonitrile
CID 58799173
1-benzyl-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-3-nitroquinolin-2-one
CID 23543745
4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(furan-3-ylmethyl)-2-oxoquinoline-3-carbonitrile
CID 58799187
azane;1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile
CID 159792567
1-[(4-cyanophenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 21081879
1-[(4-fluorophenyl)methyl]-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)quinoline-3-carbonitrile
CID 89052513
1-benzyl-6-chloro-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-3-nitroquinolin-2-one
CID 23543755
6-chloro-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-[2-(dimethylamino)ethyl]-2-oxoquinoline-3-carbonitrile
CID 58799234
azane;4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-(2-phenylethyl)quinoline-3-carbonitrile
CID 162334317

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile?
The IUPAC name of 1-benzyl-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile (CID 58799195) is 1-benzyl-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile.
What is the SMILES notation for 1-benzyl-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile?
The canonical SMILES for 1-benzyl-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile is N#Cc1c(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c2ccccc2n(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile?
The InChIKey is BNUGLWGGUJYKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClN4O2/c29-22-12-10-21(11-13-22)27(34)32-16-14-31(15-17-32)26-23-8-4-5-9-25(23)33(28(35)24(26)18-30)19-20-6-2-1-3-7-20/h1-13H,14-17,19H2.
What are the key properties of 1-benzyl-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile?
1-benzyl-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile has a molecular weight of 482.97 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile is sourced from PubChem (CID 58799195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).