(3,4-dimethylphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone

C21H22N4O — CID 108741382

IUPAC(3,4-dimethylphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCN(c3cnc4ccccc4n3)CC2)cc1C
InChIInChI=1S/C21H22N4O/c1-15-7-8-17(13-16(15)2)21(26)25-11-9-24(10-12-25)20-14-22-18-5-3-4-6-19(18)23-20/h3-8,13-14H,9-12H2,1-2H3
InChIKeyJXYALHMZMNPELQ-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.21
Rot. Bonds2

About (3,4-dimethylphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone

(3,4-dimethylphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone (PubChem CID 108741382) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
PubChem CID108741382
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name(3,4-dimethylphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCN(c3cnc4ccccc4n3)CC2)cc1C
InChIInChI=1S/C21H22N4O/c1-15-7-8-17(13-16(15)2)21(26)25-11-9-24(10-12-25)20-14-22-18-5-3-4-6-19(18)23-20/h3-8,13-14H,9-12H2,1-2H3
InChIKeyJXYALHMZMNPELQ-UHFFFAOYSA-N
XLogP3.21
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-propan-2-ylphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 36724322
[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 108741431
[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 108741361
(2,5-dichlorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 108741335
2-bromo-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one
CID 108763902
(3,4-dimethylphenyl)-[4-(2-ethylphenyl)piperazin-1-yl]methanone
CID 113075800
2-(3-methoxypropyl)-5-(4-quinoxalin-2-ylpiperazine-1-carbonyl)isoindole-1,3-dione
CID 108763941
(4-ethoxyphenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108765053
(2,4-difluorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 108741472
N-(3,4-dimethylphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide
CID 16813344
(3,4-dimethylphenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone
CID 121035067
(3,4-dimethylphenyl)-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058149

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (3,4-dimethylphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone (CID 108741382) is (3,4-dimethylphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (3,4-dimethylphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone is Cc1ccc(C(=O)N2CCN(c3cnc4ccccc4n3)CC2)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone?
The InChIKey is JXYALHMZMNPELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-15-7-8-17(13-16(15)2)21(26)25-11-9-24(10-12-25)20-14-22-18-5-3-4-6-19(18)23-20/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of (3,4-dimethylphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone?
(3,4-dimethylphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone has a molecular weight of 346.43 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 108741382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).