1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3,6,7-trimethylquinoxalin-2-one

C25H30N4O2 — CID 46324543

IUPAC1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3,6,7-trimethylquinoxalin-2-one
SMILESCc1cc2nc(C)c(=O)n(CCC(=O)N3CCN(Cc4ccccc4)CC3)c2cc1C
InChIInChI=1S/C25H30N4O2/c1-18-15-22-23(16-19(18)2)29(25(31)20(3)26-22)10-9-24(30)28-13-11-27(12-14-28)17-21-7-5-4-6-8-21/h4-8,15-16H,9-14,17H2,1-3H3
InChIKeyNMQNLZBHFUQJNL-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.06
Rot. Bonds5

About 1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3,6,7-trimethylquinoxalin-2-one

1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3,6,7-trimethylquinoxalin-2-one (PubChem CID 46324543) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3,6,7-trimethylquinoxalin-2-one.

Molecular Properties

Compound Name1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3,6,7-trimethylquinoxalin-2-one
PubChem CID46324543
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3,6,7-trimethylquinoxalin-2-one
SMILESCc1cc2nc(C)c(=O)n(CCC(=O)N3CCN(Cc4ccccc4)CC3)c2cc1C
InChIInChI=1S/C25H30N4O2/c1-18-15-22-23(16-19(18)2)29(25(31)20(3)26-22)10-9-24(30)28-13-11-27(12-14-28)17-21-7-5-4-6-8-21/h4-8,15-16H,9-14,17H2,1-3H3
InChIKeyNMQNLZBHFUQJNL-UHFFFAOYSA-N
XLogP3.06
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3,6,7-trimethylquinoxalin-2-one with MolForge

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Related Compounds

3,6,7-trimethyl-1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]quinoxalin-2-one
CID 46324538
1-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-3,6,7-trimethylquinoxalin-2-one
CID 46324518
N-(4-phenylbutan-2-yl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324573
3,6,7-trimethyl-1-[[4-(4-propylpiperazine-1-carbonyl)phenyl]methyl]quinoxalin-2-one
CID 46324759
3-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-6,7-dimethoxyquinazolin-4-one
CID 39035249
5-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1-tert-butyl-6-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 16881743
1-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-3-methylquinoxalin-2-one
CID 46324340
3-methyl-1-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinoxalin-2-one
CID 46324411
1-(4-benzylpiperazin-1-yl)-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propan-1-one
CID 27671401
1-(4-benzylpiperazin-1-yl)butan-1-one
CID 874457
1-(4-benzylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one
CID 46343141
1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-methylquinolin-2-one
CID 110680239

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3,6,7-trimethylquinoxalin-2-one?
The IUPAC name of 1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3,6,7-trimethylquinoxalin-2-one (CID 46324543) is 1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3,6,7-trimethylquinoxalin-2-one.
What is the SMILES notation for 1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3,6,7-trimethylquinoxalin-2-one?
The canonical SMILES for 1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3,6,7-trimethylquinoxalin-2-one is Cc1cc2nc(C)c(=O)n(CCC(=O)N3CCN(Cc4ccccc4)CC3)c2cc1C.
What is the InChIKey of 1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3,6,7-trimethylquinoxalin-2-one?
The InChIKey is NMQNLZBHFUQJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-18-15-22-23(16-19(18)2)29(25(31)20(3)26-22)10-9-24(30)28-13-11-27(12-14-28)17-21-7-5-4-6-8-21/h4-8,15-16H,9-14,17H2,1-3H3.
What are the key properties of 1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3,6,7-trimethylquinoxalin-2-one?
1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3,6,7-trimethylquinoxalin-2-one has a molecular weight of 418.54 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3,6,7-trimethylquinoxalin-2-one is sourced from PubChem (CID 46324543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).