6-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-1-ethyl-3-methylquinoxalin-2-one

C24H27ClN4O2 — CID 46570789

IUPAC6-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-1-ethyl-3-methylquinoxalin-2-one
SMILESCCn1c(=O)c(C)nc2cc(C(=O)N3CCN(C(C)c4ccccc4Cl)CC3)ccc21
InChIInChI=1S/C24H27ClN4O2/c1-4-29-22-10-9-18(15-21(22)26-16(2)23(29)30)24(31)28-13-11-27(12-14-28)17(3)19-7-5-6-8-20(19)25/h5-10,15,17H,4,11-14H2,1-3H3
InChIKeyDBOPPISEGWQYOK-UHFFFAOYSA-N
MW438.96 g/mol
LogP3.90
Rot. Bonds4

About 6-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-1-ethyl-3-methylquinoxalin-2-one

6-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-1-ethyl-3-methylquinoxalin-2-one (PubChem CID 46570789) has the molecular formula C24H27ClN4O2 and a molecular weight of 438.96 g/mol. Its IUPAC name is 6-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-1-ethyl-3-methylquinoxalin-2-one.

Molecular Properties

Compound Name6-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-1-ethyl-3-methylquinoxalin-2-one
PubChem CID46570789
Molecular FormulaC24H27ClN4O2
Molecular Weight438.96 g/mol
Exact Mass438.18
IUPAC Name6-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-1-ethyl-3-methylquinoxalin-2-one
SMILESCCn1c(=O)c(C)nc2cc(C(=O)N3CCN(C(C)c4ccccc4Cl)CC3)ccc21
InChIInChI=1S/C24H27ClN4O2/c1-4-29-22-10-9-18(15-21(22)26-16(2)23(29)30)24(31)28-13-11-27(12-14-28)17(3)19-7-5-6-8-20(19)25/h5-10,15,17H,4,11-14H2,1-3H3
InChIKeyDBOPPISEGWQYOK-UHFFFAOYSA-N
XLogP3.90
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.96
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-1-ethyl-3-methylquinoxalin-2-one with MolForge

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Related Compounds

1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylic acid
CID 4962182
6-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazine-1-carbonyl]-1-ethyl-3-methylquinoxalin-2-one
CID 26009570
N-benzhydryl-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 7580923
2-[1-[4-(4-chlorobenzoyl)piperazin-1-yl]ethyl]-3-ethylquinazolin-4-one
CID 42717155
[(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 9064863
(2-chlorophenyl)-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone
CID 55362493
[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 8696816
[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 134043799
6-(6-benzyl-2,6,9-triazabicyclo[9.4.0]pentadeca-1(15),11,13-triene-9-carbonyl)-1-ethyl-3-methylquinoxalin-2-one
CID 133072113
[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 46579668
3-oxobutan-2-yl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 46819421
1-ethyl-3-methyl-2-oxo-N-pentan-2-ylquinoxaline-6-carboxamide
CID 46684618

Frequently Asked Questions

What is the IUPAC name of 6-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-1-ethyl-3-methylquinoxalin-2-one?
The IUPAC name of 6-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-1-ethyl-3-methylquinoxalin-2-one (CID 46570789) is 6-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-1-ethyl-3-methylquinoxalin-2-one.
What is the SMILES notation for 6-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-1-ethyl-3-methylquinoxalin-2-one?
The canonical SMILES for 6-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-1-ethyl-3-methylquinoxalin-2-one is CCn1c(=O)c(C)nc2cc(C(=O)N3CCN(C(C)c4ccccc4Cl)CC3)ccc21.
What is the InChIKey of 6-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-1-ethyl-3-methylquinoxalin-2-one?
The InChIKey is DBOPPISEGWQYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O2/c1-4-29-22-10-9-18(15-21(22)26-16(2)23(29)30)24(31)28-13-11-27(12-14-28)17(3)19-7-5-6-8-20(19)25/h5-10,15,17H,4,11-14H2,1-3H3.
What are the key properties of 6-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-1-ethyl-3-methylquinoxalin-2-one?
6-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-1-ethyl-3-methylquinoxalin-2-one has a molecular weight of 438.96 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-1-ethyl-3-methylquinoxalin-2-one is sourced from PubChem (CID 46570789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).