3-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]-1-ethylquinoxalin-2-one

C29H30N4O2 — CID 46395214

IUPAC3-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]-1-ethylquinoxalin-2-one
SMILESCCn1c(=O)c(-c2ccc(C(=O)N3CCN(c4cccc(C)c4C)CC3)cc2)nc2ccccc21
InChIInChI=1S/C29H30N4O2/c1-4-33-26-10-6-5-9-24(26)30-27(29(33)35)22-12-14-23(15-13-22)28(34)32-18-16-31(17-19-32)25-11-7-8-20(2)21(25)3/h5-15H,4,16-19H2,1-3H3
InChIKeyGNGYIMVENJFWGP-UHFFFAOYSA-N
MW466.59 g/mol
LogP4.66
Rot. Bonds4

About 3-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]-1-ethylquinoxalin-2-one

3-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]-1-ethylquinoxalin-2-one (PubChem CID 46395214) has the molecular formula C29H30N4O2 and a molecular weight of 466.59 g/mol. Its IUPAC name is 3-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]-1-ethylquinoxalin-2-one.

Molecular Properties

Compound Name3-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]-1-ethylquinoxalin-2-one
PubChem CID46395214
Molecular FormulaC29H30N4O2
Molecular Weight466.59 g/mol
Exact Mass466.24
IUPAC Name3-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]-1-ethylquinoxalin-2-one
SMILESCCn1c(=O)c(-c2ccc(C(=O)N3CCN(c4cccc(C)c4C)CC3)cc2)nc2ccccc21
InChIInChI=1S/C29H30N4O2/c1-4-33-26-10-6-5-9-24(26)30-27(29(33)35)22-12-14-23(15-13-22)28(34)32-18-16-31(17-19-32)25-11-7-8-20(2)21(25)3/h5-15H,4,16-19H2,1-3H3
InChIKeyGNGYIMVENJFWGP-UHFFFAOYSA-N
XLogP4.66
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methylpropyl)-3-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]quinoxalin-2-one
CID 50838535
(4-aminophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 28722555
1-ethyl-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]quinoxalin-2-one
CID 50837441
1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-4-phenylquinazolin-2-one
CID 46346733
(4-bromophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 1221745
3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-ethylquinoxalin-2-one
CID 50835017
4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]benzonitrile
CID 2426903
ethyl 1-[4-[4-(2-methylpropyl)-3-oxoquinoxalin-2-yl]benzoyl]piperidine-4-carboxylate
CID 50838501
N-butan-2-yl-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]benzamide
CID 109044078
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-ethyl-5-methylpyrazol-3-yl)methanone
CID 110681721
5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one
CID 110693026
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
CID 22432185

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]-1-ethylquinoxalin-2-one?
The IUPAC name of 3-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]-1-ethylquinoxalin-2-one (CID 46395214) is 3-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]-1-ethylquinoxalin-2-one.
What is the SMILES notation for 3-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]-1-ethylquinoxalin-2-one?
The canonical SMILES for 3-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]-1-ethylquinoxalin-2-one is CCn1c(=O)c(-c2ccc(C(=O)N3CCN(c4cccc(C)c4C)CC3)cc2)nc2ccccc21.
What is the InChIKey of 3-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]-1-ethylquinoxalin-2-one?
The InChIKey is GNGYIMVENJFWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O2/c1-4-33-26-10-6-5-9-24(26)30-27(29(33)35)22-12-14-23(15-13-22)28(34)32-18-16-31(17-19-32)25-11-7-8-20(2)21(25)3/h5-15H,4,16-19H2,1-3H3.
What are the key properties of 3-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]-1-ethylquinoxalin-2-one?
3-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]-1-ethylquinoxalin-2-one has a molecular weight of 466.59 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]-1-ethylquinoxalin-2-one is sourced from PubChem (CID 46395214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).