1-(4-chlorophenyl)-4-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one

C24H24ClN5O2 — CID 108809896

IUPAC1-(4-chlorophenyl)-4-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCc1nc2ccccc2nc1N1CCN(C(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C24H24ClN5O2/c1-16-23(27-21-5-3-2-4-20(21)26-16)28-10-12-29(13-11-28)24(32)17-14-22(31)30(15-17)19-8-6-18(25)7-9-19/h2-9,17H,10-15H2,1H3
InChIKeyVFCNSNYGCRZEKX-UHFFFAOYSA-N
MW449.94 g/mol
LogP3.29
Rot. Bonds3

About 1-(4-chlorophenyl)-4-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one

1-(4-chlorophenyl)-4-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 108809896) has the molecular formula C24H24ClN5O2 and a molecular weight of 449.94 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID108809896
Molecular FormulaC24H24ClN5O2
Molecular Weight449.94 g/mol
Exact Mass449.16
IUPAC Name1-(4-chlorophenyl)-4-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCc1nc2ccccc2nc1N1CCN(C(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C24H24ClN5O2/c1-16-23(27-21-5-3-2-4-20(21)26-16)28-10-12-29(13-11-28)24(32)17-14-22(31)30(15-17)19-8-6-18(25)7-9-19/h2-9,17H,10-15H2,1H3
InChIKeyVFCNSNYGCRZEKX-UHFFFAOYSA-N
XLogP3.29
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.94
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 108763854
1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 17082146
1-(4-chlorophenyl)-4-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 122339739
(4S)-1-(4-chlorophenyl)-4-(4-methylpiperazin-4-ium-1-carbonyl)pyrrolidin-2-one
CID 7337159
1-(4-chlorophenyl)-4-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 122336093
1-(4-pyrrolidin-1-ylphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 108741423
(4S)-1-(4-methylphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9242636
4-(4-benzylpiperazine-1-carbonyl)-1-(4-chlorophenyl)pyrrolidin-2-one
CID 17082154
1-(4-methoxyphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 108741412
1-(4-chlorophenyl)-4-(3,5-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 17082169
1-(4-chlorophenyl)-4-[4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 122334066
1-(4-chlorophenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119563793

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(4-chlorophenyl)-4-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 108809896) is 1-(4-chlorophenyl)-4-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-4-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-4-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one is Cc1nc2ccccc2nc1N1CCN(C(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-4-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is VFCNSNYGCRZEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O2/c1-16-23(27-21-5-3-2-4-20(21)26-16)28-10-12-29(13-11-28)24(32)17-14-22(31)30(15-17)19-8-6-18(25)7-9-19/h2-9,17H,10-15H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-4-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
1-(4-chlorophenyl)-4-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 449.94 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 108809896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).