3-[(4-benzylpiperazin-1-yl)methyl]-6,7-dimethyl-1H-quinoxalin-2-one

C22H26N4O — CID 46390383

IUPAC3-[(4-benzylpiperazin-1-yl)methyl]-6,7-dimethyl-1H-quinoxalin-2-one
SMILESCc1cc2nc(CN3CCN(Cc4ccccc4)CC3)c(=O)[nH]c2cc1C
InChIInChI=1S/C22H26N4O/c1-16-12-19-20(13-17(16)2)24-22(27)21(23-19)15-26-10-8-25(9-11-26)14-18-6-4-3-5-7-18/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,24,27)
InChIKeyOVQDKKFDAIVPFU-UHFFFAOYSA-N
MW362.48 g/mol
LogP2.86
Rot. Bonds4

About 3-[(4-benzylpiperazin-1-yl)methyl]-6,7-dimethyl-1H-quinoxalin-2-one

3-[(4-benzylpiperazin-1-yl)methyl]-6,7-dimethyl-1H-quinoxalin-2-one (PubChem CID 46390383) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 3-[(4-benzylpiperazin-1-yl)methyl]-6,7-dimethyl-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[(4-benzylpiperazin-1-yl)methyl]-6,7-dimethyl-1H-quinoxalin-2-one
PubChem CID46390383
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name3-[(4-benzylpiperazin-1-yl)methyl]-6,7-dimethyl-1H-quinoxalin-2-one
SMILESCc1cc2nc(CN3CCN(Cc4ccccc4)CC3)c(=O)[nH]c2cc1C
InChIInChI=1S/C22H26N4O/c1-16-12-19-20(13-17(16)2)24-22(27)21(23-19)15-26-10-8-25(9-11-26)14-18-6-4-3-5-7-18/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,24,27)
InChIKeyOVQDKKFDAIVPFU-UHFFFAOYSA-N
XLogP2.86
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(4-benzylpiperazin-1-yl)methyl]-6,7-dimethyl-1H-quinoxalin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-bromophenyl)methyl]-6,7-dimethyl-1H-quinoxalin-2-one
CID 5053613
3-ethyl-6,7-dimethyl-1H-quinoxalin-2-one;1,4,5-trimethyl-2-phenylpyrazol-3-one
CID 158009297
4-(4-benzyl-1,4-diazepan-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 154779983
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
(E)-N-(1-benzylpiperidin-4-yl)-3-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]prop-2-enamide
CID 44534666
1-benzyl-4-[[5-methyl-2-(4-methylphenyl)-1H-imidazol-4-yl]methyl]piperazine
CID 19106707
2-[(4-benzylpiperazin-1-yl)methyl]-6-chloro-1H-benzimidazole
CID 134084457
tetrakis(5,6-dimethyl-2-(2-phenylethyl)-1H-benzimidazole);dihydrate
CID 139062819
3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1H-quinoxalin-2-one
CID 104975782
4-(2-methylpropyl)-2-[4-[(3-oxo-4H-quinoxalin-2-yl)methyl]piperazin-1-yl]benzonitrile
CID 171779846
2-[5-(4-benzylpiperazin-1-yl)pentyl]-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 118728511
2-(4-benzylpiperazin-1-yl)-5-hexyl-4-methyl-1H-pyrimidin-6-one
CID 135762180

Frequently Asked Questions

What is the IUPAC name of 3-[(4-benzylpiperazin-1-yl)methyl]-6,7-dimethyl-1H-quinoxalin-2-one?
The IUPAC name of 3-[(4-benzylpiperazin-1-yl)methyl]-6,7-dimethyl-1H-quinoxalin-2-one (CID 46390383) is 3-[(4-benzylpiperazin-1-yl)methyl]-6,7-dimethyl-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[(4-benzylpiperazin-1-yl)methyl]-6,7-dimethyl-1H-quinoxalin-2-one?
The canonical SMILES for 3-[(4-benzylpiperazin-1-yl)methyl]-6,7-dimethyl-1H-quinoxalin-2-one is Cc1cc2nc(CN3CCN(Cc4ccccc4)CC3)c(=O)[nH]c2cc1C.
What is the InChIKey of 3-[(4-benzylpiperazin-1-yl)methyl]-6,7-dimethyl-1H-quinoxalin-2-one?
The InChIKey is OVQDKKFDAIVPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-16-12-19-20(13-17(16)2)24-22(27)21(23-19)15-26-10-8-25(9-11-26)14-18-6-4-3-5-7-18/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,24,27).
What are the key properties of 3-[(4-benzylpiperazin-1-yl)methyl]-6,7-dimethyl-1H-quinoxalin-2-one?
3-[(4-benzylpiperazin-1-yl)methyl]-6,7-dimethyl-1H-quinoxalin-2-one has a molecular weight of 362.48 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-benzylpiperazin-1-yl)methyl]-6,7-dimethyl-1H-quinoxalin-2-one is sourced from PubChem (CID 46390383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).