3-[4-(2-methoxybenzoyl)piperazin-1-yl]-1-(2-methylpropyl)quinoxalin-2-one

C24H28N4O3 — CID 53131556

IUPAC3-[4-(2-methoxybenzoyl)piperazin-1-yl]-1-(2-methylpropyl)quinoxalin-2-one
SMILESCOc1ccccc1C(=O)N1CCN(c2nc3ccccc3n(CC(C)C)c2=O)CC1
InChIInChI=1S/C24H28N4O3/c1-17(2)16-28-20-10-6-5-9-19(20)25-22(24(28)30)26-12-14-27(15-13-26)23(29)18-8-4-7-11-21(18)31-3/h4-11,17H,12-16H2,1-3H3
InChIKeyKBVKTZQTGIOUBP-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.02
Rot. Bonds5

About 3-[4-(2-methoxybenzoyl)piperazin-1-yl]-1-(2-methylpropyl)quinoxalin-2-one

3-[4-(2-methoxybenzoyl)piperazin-1-yl]-1-(2-methylpropyl)quinoxalin-2-one (PubChem CID 53131556) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 3-[4-(2-methoxybenzoyl)piperazin-1-yl]-1-(2-methylpropyl)quinoxalin-2-one.

Molecular Properties

Compound Name3-[4-(2-methoxybenzoyl)piperazin-1-yl]-1-(2-methylpropyl)quinoxalin-2-one
PubChem CID53131556
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name3-[4-(2-methoxybenzoyl)piperazin-1-yl]-1-(2-methylpropyl)quinoxalin-2-one
SMILESCOc1ccccc1C(=O)N1CCN(c2nc3ccccc3n(CC(C)C)c2=O)CC1
InChIInChI=1S/C24H28N4O3/c1-17(2)16-28-20-10-6-5-9-19(20)25-22(24(28)30)26-12-14-27(15-13-26)23(29)18-8-4-7-11-21(18)31-3/h4-11,17H,12-16H2,1-3H3
InChIKeyKBVKTZQTGIOUBP-UHFFFAOYSA-N
XLogP3.02
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-benzoylpiperazin-1-yl)-4-(2-methylpropyl)pyrido[3,4-b]pyrazin-3-one
CID 53194727
(2-methoxyphenyl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone
CID 32880632
3-[4-(4-methoxy-2-methylbenzoyl)piperazin-1-yl]-1-propylquinoxalin-2-one
CID 53131518
1-benzyl-3-[4-(2-fluorobenzoyl)piperazin-1-yl]quinoxalin-2-one
CID 50837561
1-(2-methylpropyl)-3-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]quinoxalin-2-one
CID 50838535
methyl 2-[[4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carbonyl]amino]benzoate
CID 53070062
1-ethyl-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoxalin-2-one
CID 46393079
3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-ethylquinoxalin-2-one
CID 50835017
(2-methoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 937879
3-[4-(3,4-diethoxybenzoyl)piperazin-1-yl]-1-propylquinoxalin-2-one
CID 50837525
1-[(3-methoxyphenyl)methyl]-3-[1-[4-(2-methylpropyl)-3-oxoquinoxalin-2-yl]piperidin-4-yl]urea
CID 50837412
N-methyl-4-[4-(2-methylpropyl)-3-oxopyrido[3,4-b]pyrazin-2-yl]piperazine-1-carboxamide
CID 53194749

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxybenzoyl)piperazin-1-yl]-1-(2-methylpropyl)quinoxalin-2-one?
The IUPAC name of 3-[4-(2-methoxybenzoyl)piperazin-1-yl]-1-(2-methylpropyl)quinoxalin-2-one (CID 53131556) is 3-[4-(2-methoxybenzoyl)piperazin-1-yl]-1-(2-methylpropyl)quinoxalin-2-one.
What is the SMILES notation for 3-[4-(2-methoxybenzoyl)piperazin-1-yl]-1-(2-methylpropyl)quinoxalin-2-one?
The canonical SMILES for 3-[4-(2-methoxybenzoyl)piperazin-1-yl]-1-(2-methylpropyl)quinoxalin-2-one is COc1ccccc1C(=O)N1CCN(c2nc3ccccc3n(CC(C)C)c2=O)CC1.
What is the InChIKey of 3-[4-(2-methoxybenzoyl)piperazin-1-yl]-1-(2-methylpropyl)quinoxalin-2-one?
The InChIKey is KBVKTZQTGIOUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-17(2)16-28-20-10-6-5-9-19(20)25-22(24(28)30)26-12-14-27(15-13-26)23(29)18-8-4-7-11-21(18)31-3/h4-11,17H,12-16H2,1-3H3.
What are the key properties of 3-[4-(2-methoxybenzoyl)piperazin-1-yl]-1-(2-methylpropyl)quinoxalin-2-one?
3-[4-(2-methoxybenzoyl)piperazin-1-yl]-1-(2-methylpropyl)quinoxalin-2-one has a molecular weight of 420.51 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxybenzoyl)piperazin-1-yl]-1-(2-methylpropyl)quinoxalin-2-one is sourced from PubChem (CID 53131556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).