1-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-3-methylquinoxalin-2-one

C22H23ClN4O2 — CID 46324340

IUPAC1-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-3-methylquinoxalin-2-one
SMILESCc1nc2ccccc2n(CCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1=O
InChIInChI=1S/C22H23ClN4O2/c1-16-22(29)27(20-5-3-2-4-19(20)24-16)11-10-21(28)26-14-12-25(13-15-26)18-8-6-17(23)7-9-18/h2-9H,10-15H2,1H3
InChIKeyKGMSQMITIHSFJJ-UHFFFAOYSA-N
MW410.91 g/mol
LogP3.10
Rot. Bonds4

About 1-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-3-methylquinoxalin-2-one

1-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-3-methylquinoxalin-2-one (PubChem CID 46324340) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is 1-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-3-methylquinoxalin-2-one.

Molecular Properties

Compound Name1-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-3-methylquinoxalin-2-one
PubChem CID46324340
Molecular FormulaC22H23ClN4O2
Molecular Weight410.91 g/mol
Exact Mass410.15
IUPAC Name1-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-3-methylquinoxalin-2-one
SMILESCc1nc2ccccc2n(CCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1=O
InChIInChI=1S/C22H23ClN4O2/c1-16-22(29)27(20-5-3-2-4-19(20)24-16)11-10-21(28)26-14-12-25(13-15-26)18-8-6-17(23)7-9-18/h2-9H,10-15H2,1H3
InChIKeyKGMSQMITIHSFJJ-UHFFFAOYSA-N
XLogP3.10
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-1-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinoxalin-2-one
CID 46324411
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324439
1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-piperidin-1-ylquinoxalin-2-one
CID 91951434
1-[[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-3-methylquinoxalin-2-one
CID 46324692
N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324455
1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-methylquinoxalin-2-one
CID 139617104
3-(dimethylamino)-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]quinoxalin-2-one
CID 91951087
2-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 10046381
1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3,6,7-trimethylquinoxalin-2-one
CID 46324543
3-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-1-propylquinoxalin-2-one
CID 53001361
3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one
CID 43135355
1-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-3,6,7-trimethylquinoxalin-2-one
CID 46324518

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-3-methylquinoxalin-2-one?
The IUPAC name of 1-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-3-methylquinoxalin-2-one (CID 46324340) is 1-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-3-methylquinoxalin-2-one.
What is the SMILES notation for 1-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-3-methylquinoxalin-2-one?
The canonical SMILES for 1-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-3-methylquinoxalin-2-one is Cc1nc2ccccc2n(CCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1=O.
What is the InChIKey of 1-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-3-methylquinoxalin-2-one?
The InChIKey is KGMSQMITIHSFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c1-16-22(29)27(20-5-3-2-4-19(20)24-16)11-10-21(28)26-14-12-25(13-15-26)18-8-6-17(23)7-9-18/h2-9H,10-15H2,1H3.
What are the key properties of 1-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-3-methylquinoxalin-2-one?
1-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-3-methylquinoxalin-2-one has a molecular weight of 410.91 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-3-methylquinoxalin-2-one is sourced from PubChem (CID 46324340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).