6-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazine-1-carbonyl]-1-ethyl-3-methylquinoxalin-2-one

C20H26N4O4S — CID 26009570

IUPAC6-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazine-1-carbonyl]-1-ethyl-3-methylquinoxalin-2-one
SMILESCCn1c(=O)c(C)nc2cc(C(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)ccc21
InChIInChI=1S/C20H26N4O4S/c1-3-24-18-5-4-15(12-17(18)21-14(2)19(24)25)20(26)23-9-7-22(8-10-23)16-6-11-29(27,28)13-16/h4-5,12,16H,3,6-11,13H2,1-2H3/t16-/m0/s1
InChIKeyNWOWMYFICDVLPC-INIZCTEOSA-N
MW418.52 g/mol
LogP0.67
Rot. Bonds3

About 6-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazine-1-carbonyl]-1-ethyl-3-methylquinoxalin-2-one

6-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazine-1-carbonyl]-1-ethyl-3-methylquinoxalin-2-one (PubChem CID 26009570) has the molecular formula C20H26N4O4S and a molecular weight of 418.52 g/mol. Its IUPAC name is 6-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazine-1-carbonyl]-1-ethyl-3-methylquinoxalin-2-one.

Molecular Properties

Compound Name6-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazine-1-carbonyl]-1-ethyl-3-methylquinoxalin-2-one
PubChem CID26009570
Molecular FormulaC20H26N4O4S
Molecular Weight418.52 g/mol
Exact Mass418.17
IUPAC Name6-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazine-1-carbonyl]-1-ethyl-3-methylquinoxalin-2-one
SMILESCCn1c(=O)c(C)nc2cc(C(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)ccc21
InChIInChI=1S/C20H26N4O4S/c1-3-24-18-5-4-15(12-17(18)21-14(2)19(24)25)20(26)23-9-7-22(8-10-23)16-6-11-29(27,28)13-16/h4-5,12,16H,3,6-11,13H2,1-2H3/t16-/m0/s1
InChIKeyNWOWMYFICDVLPC-INIZCTEOSA-N
XLogP0.67
TPSA92.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazine-1-carbonyl]-1-ethyl-3-methylquinoxalin-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylic acid
CID 4962182
[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-(4-propylphenyl)methanone
CID 47719992
6-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-1-ethyl-3-methylquinoxalin-2-one
CID 46570789
1-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-3,6,7-trimethylquinoxalin-2-one
CID 46324746
[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
CID 55385020
[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-[4-(5-methyltetrazol-1-yl)phenyl]methanone
CID 95390918
[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 56827963
[(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 9064863
[1-[(3S)-1,1-dioxothiolan-3-yl]-2-methylbenzimidazol-5-yl]-[(3S)-3-methylpiperazin-1-yl]methanone
CID 125147314
[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-(furan-3-yl)methanone
CID 47126271
6-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-ethyl-3-methylquinoxalin-2-one
CID 32909071
[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone
CID 40804918

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazine-1-carbonyl]-1-ethyl-3-methylquinoxalin-2-one?
The IUPAC name of 6-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazine-1-carbonyl]-1-ethyl-3-methylquinoxalin-2-one (CID 26009570) is 6-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazine-1-carbonyl]-1-ethyl-3-methylquinoxalin-2-one.
What is the SMILES notation for 6-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazine-1-carbonyl]-1-ethyl-3-methylquinoxalin-2-one?
The canonical SMILES for 6-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazine-1-carbonyl]-1-ethyl-3-methylquinoxalin-2-one is CCn1c(=O)c(C)nc2cc(C(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)ccc21.
What is the InChIKey of 6-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazine-1-carbonyl]-1-ethyl-3-methylquinoxalin-2-one?
The InChIKey is NWOWMYFICDVLPC-INIZCTEOSA-N. The full InChI is InChI=1S/C20H26N4O4S/c1-3-24-18-5-4-15(12-17(18)21-14(2)19(24)25)20(26)23-9-7-22(8-10-23)16-6-11-29(27,28)13-16/h4-5,12,16H,3,6-11,13H2,1-2H3/t16-/m0/s1.
What are the key properties of 6-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazine-1-carbonyl]-1-ethyl-3-methylquinoxalin-2-one?
6-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazine-1-carbonyl]-1-ethyl-3-methylquinoxalin-2-one has a molecular weight of 418.52 g/mol, XLogP of 0.67, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazine-1-carbonyl]-1-ethyl-3-methylquinoxalin-2-one is sourced from PubChem (CID 26009570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).