1-(5-chloro-2-methoxyphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one

C24H24ClN5O3 — CID 108763993

IUPAC1-(5-chloro-2-methoxyphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCOc1ccc(Cl)cc1N1CC(C(=O)N2CCN(c3cnc4ccccc4n3)CC2)CC1=O
InChIInChI=1S/C24H24ClN5O3/c1-33-21-7-6-17(25)13-20(21)30-15-16(12-23(30)31)24(32)29-10-8-28(9-11-29)22-14-26-18-4-2-3-5-19(18)27-22/h2-7,13-14,16H,8-12,15H2,1H3
InChIKeySZPVTTCZKNJCSR-UHFFFAOYSA-N
MW465.94 g/mol
LogP2.99
Rot. Bonds4

About 1-(5-chloro-2-methoxyphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one

1-(5-chloro-2-methoxyphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 108763993) has the molecular formula C24H24ClN5O3 and a molecular weight of 465.94 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID108763993
Molecular FormulaC24H24ClN5O3
Molecular Weight465.94 g/mol
Exact Mass465.16
IUPAC Name1-(5-chloro-2-methoxyphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCOc1ccc(Cl)cc1N1CC(C(=O)N2CCN(c3cnc4ccccc4n3)CC2)CC1=O
InChIInChI=1S/C24H24ClN5O3/c1-33-21-7-6-17(25)13-20(21)30-15-16(12-23(30)31)24(32)29-10-8-28(9-11-29)22-14-26-18-4-2-3-5-19(18)27-22/h2-7,13-14,16H,8-12,15H2,1H3
InChIKeySZPVTTCZKNJCSR-UHFFFAOYSA-N
XLogP2.99
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.94
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methoxyphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 108741412
4-(azetidine-1-carbonyl)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-2-one
CID 134015599
4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 55345738
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 24680226
1-(4-pyrrolidin-1-ylphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 108741423
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one
CID 17191849
1-(5-chloro-2-methoxyphenyl)-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 47005186
4-[4-(1-aminoethyl)piperidine-1-carbonyl]-1-(5-chloro-2-methoxyphenyl)pyrrolidin-2-one;hydrochloride
CID 119518045
1-(5-chloro-2-methoxyphenyl)-4-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 55330307
(4R)-1-(2-methoxyphenyl)-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 8713514
4-(3-aminopiperidine-1-carbonyl)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-2-one
CID 119378594
1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide
CID 55483902

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one (CID 108763993) is 1-(5-chloro-2-methoxyphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one is COc1ccc(Cl)cc1N1CC(C(=O)N2CCN(c3cnc4ccccc4n3)CC2)CC1=O.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is SZPVTTCZKNJCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O3/c1-33-21-7-6-17(25)13-20(21)30-15-16(12-23(30)31)24(32)29-10-8-28(9-11-29)22-14-26-18-4-2-3-5-19(18)27-22/h2-7,13-14,16H,8-12,15H2,1H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
1-(5-chloro-2-methoxyphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 465.94 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 108763993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).