(4-propan-2-ylphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone

C22H24N4O — CID 36724322

IUPAC(4-propan-2-ylphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
SMILESCC(C)c1ccc(C(=O)N2CCN(c3cnc4ccccc4n3)CC2)cc1
InChIInChI=1S/C22H24N4O/c1-16(2)17-7-9-18(10-8-17)22(27)26-13-11-25(12-14-26)21-15-23-19-5-3-4-6-20(19)24-21/h3-10,15-16H,11-14H2,1-2H3
InChIKeyKSJWXSDPZKBYLO-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.72
Rot. Bonds3

About (4-propan-2-ylphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone

(4-propan-2-ylphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone (PubChem CID 36724322) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is (4-propan-2-ylphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-propan-2-ylphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
PubChem CID36724322
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name(4-propan-2-ylphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
SMILESCC(C)c1ccc(C(=O)N2CCN(c3cnc4ccccc4n3)CC2)cc1
InChIInChI=1S/C22H24N4O/c1-16(2)17-7-9-18(10-8-17)22(27)26-13-11-25(12-14-26)21-15-23-19-5-3-4-6-20(19)24-21/h3-10,15-16H,11-14H2,1-2H3
InChIKeyKSJWXSDPZKBYLO-UHFFFAOYSA-N
XLogP3.72
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-propan-2-ylphenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one
CID 108764012
(3,4-dimethylphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 108741382
2-bromo-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one
CID 108763902
3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one
CID 108809162
(2,5-dichlorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 108741335
[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 108741431
2-[1-oxo-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-2-yl]isoindole-1,3-dione
CID 108763935
(3,6-dichloro-2-methoxyphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 108741343
[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 46464002
(2-chloro-6-fluorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 108741394
[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 108741361
[4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 39991441

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (4-propan-2-ylphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone (CID 36724322) is (4-propan-2-ylphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-propan-2-ylphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (4-propan-2-ylphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone is CC(C)c1ccc(C(=O)N2CCN(c3cnc4ccccc4n3)CC2)cc1.
What is the InChIKey of (4-propan-2-ylphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone?
The InChIKey is KSJWXSDPZKBYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-16(2)17-7-9-18(10-8-17)22(27)26-13-11-25(12-14-26)21-15-23-19-5-3-4-6-20(19)24-21/h3-10,15-16H,11-14H2,1-2H3.
What are the key properties of (4-propan-2-ylphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone?
(4-propan-2-ylphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone has a molecular weight of 360.46 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 36724322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).