3-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-(cyclobutylamino)quinoxaline-6-carbonitrile

C24H23ClN6O — CID 90037932

IUPAC3-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-(cyclobutylamino)quinoxaline-6-carbonitrile
SMILESN#Cc1ccc2nc(NC3CCC3)c(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)nc2c1
InChIInChI=1S/C24H23ClN6O/c25-18-7-5-17(6-8-18)24(32)31-12-10-30(11-13-31)23-22(27-19-2-1-3-19)28-20-9-4-16(15-26)14-21(20)29-23/h4-9,14,19H,1-3,10-13H2,(H,27,28)
InChIKeyOREWLCOQKKFZFI-UHFFFAOYSA-N
MW446.94 g/mol
LogP4.08
Rot. Bonds4

About 3-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-(cyclobutylamino)quinoxaline-6-carbonitrile

3-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-(cyclobutylamino)quinoxaline-6-carbonitrile (PubChem CID 90037932) has the molecular formula C24H23ClN6O and a molecular weight of 446.94 g/mol. Its IUPAC name is 3-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-(cyclobutylamino)quinoxaline-6-carbonitrile.

Molecular Properties

Compound Name3-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-(cyclobutylamino)quinoxaline-6-carbonitrile
PubChem CID90037932
Molecular FormulaC24H23ClN6O
Molecular Weight446.94 g/mol
Exact Mass446.16
IUPAC Name3-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-(cyclobutylamino)quinoxaline-6-carbonitrile
SMILESN#Cc1ccc2nc(NC3CCC3)c(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)nc2c1
InChIInChI=1S/C24H23ClN6O/c25-18-7-5-17(6-8-18)24(32)31-12-10-30(11-13-31)23-22(27-19-2-1-3-19)28-20-9-4-16(15-26)14-21(20)29-23/h4-9,14,19H,1-3,10-13H2,(H,27,28)
InChIKeyOREWLCOQKKFZFI-UHFFFAOYSA-N
XLogP4.08
TPSA85.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.94
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloropyridin-2-yl)quinoxaline-6-carboxamide
CID 829897
3-chloro-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide
CID 15987637
N-(9-butyl[1,10]phenanthrolin-2-yl)-4-chlorobenzamide
CID 14896607
N-(3-aminoquinoxalin-2-yl)-4-(piperidin-1-ylmethyl)benzamide;hydrochloride
CID 57395916
1-[4-[4-(2-Aminoethylamino)quinolin-2-yl]piperazin-1-yl]-2-(4-chlorophenyl)ethanone
CID 127043347
2-(cyclopropylamino)-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-N,N-dimethylquinoxaline-6-carboxamide
CID 166626675
3-[4-[(5-Chloro-2-oxo-1-pyridinyl)methyl]piperidin-1-yl]-2-(cyclopropylamino)quinoxaline-6-carbonitrile
CID 90038741
3-[4-(4-Chlorobenzoyl)piperazin-1-yl]-2-(2-fluoroethylamino)quinoxaline-6-carbonitrile;2,2,2-trifluoroacetic acid
CID 127024147
(4-Chloro-3-methylphenyl)-[4-[3-(cyclopropylamino)quinoxalin-2-yl]piperazin-1-yl]methanone;2,2,2-trifluoroacetic acid
CID 127024194
2-[4-(4-Chlorobenzoyl)piperazin-1-yl]-3-(cyclopropylamino)quinoxaline-6-carbonitrile;2,2,2-trifluoroacetic acid
CID 127024282
N-[2-(2-amino-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)ethyl]-4-chlorobenzamide
CID 1921160
4-chloro-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide
CID 46364123

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-(cyclobutylamino)quinoxaline-6-carbonitrile?
The IUPAC name of 3-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-(cyclobutylamino)quinoxaline-6-carbonitrile (CID 90037932) is 3-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-(cyclobutylamino)quinoxaline-6-carbonitrile.
What is the SMILES notation for 3-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-(cyclobutylamino)quinoxaline-6-carbonitrile?
The canonical SMILES for 3-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-(cyclobutylamino)quinoxaline-6-carbonitrile is N#Cc1ccc2nc(NC3CCC3)c(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)nc2c1.
What is the InChIKey of 3-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-(cyclobutylamino)quinoxaline-6-carbonitrile?
The InChIKey is OREWLCOQKKFZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN6O/c25-18-7-5-17(6-8-18)24(32)31-12-10-30(11-13-31)23-22(27-19-2-1-3-19)28-20-9-4-16(15-26)14-21(20)29-23/h4-9,14,19H,1-3,10-13H2,(H,27,28).
What are the key properties of 3-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-(cyclobutylamino)quinoxaline-6-carbonitrile?
3-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-(cyclobutylamino)quinoxaline-6-carbonitrile has a molecular weight of 446.94 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-(cyclobutylamino)quinoxaline-6-carbonitrile is sourced from PubChem (CID 90037932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).