3-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-1-(2-methylpropyl)quinoxalin-2-one

C25H30N4O2 — CID 50838544

IUPAC3-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-1-(2-methylpropyl)quinoxalin-2-one
SMILESCCN1CCN(C(=O)c2ccc(-c3nc4ccccc4n(CC(C)C)c3=O)cc2)CC1
InChIInChI=1S/C25H30N4O2/c1-4-27-13-15-28(16-14-27)24(30)20-11-9-19(10-12-20)23-25(31)29(17-18(2)3)22-8-6-5-7-21(22)26-23/h5-12,18H,4,13-17H2,1-3H3
InChIKeyNPFIEMKORRPLSP-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.50
Rot. Bonds5

About 3-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-1-(2-methylpropyl)quinoxalin-2-one

3-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-1-(2-methylpropyl)quinoxalin-2-one (PubChem CID 50838544) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 3-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-1-(2-methylpropyl)quinoxalin-2-one.

Molecular Properties

Compound Name3-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-1-(2-methylpropyl)quinoxalin-2-one
PubChem CID50838544
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name3-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-1-(2-methylpropyl)quinoxalin-2-one
SMILESCCN1CCN(C(=O)c2ccc(-c3nc4ccccc4n(CC(C)C)c3=O)cc2)CC1
InChIInChI=1S/C25H30N4O2/c1-4-27-13-15-28(16-14-27)24(30)20-11-9-19(10-12-20)23-25(31)29(17-18(2)3)22-8-6-5-7-21(22)26-23/h5-12,18H,4,13-17H2,1-3H3
InChIKeyNPFIEMKORRPLSP-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methylpropyl)-3-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]quinoxalin-2-one
CID 50838535
ethyl 1-[4-[4-(2-methylpropyl)-3-oxoquinoxalin-2-yl]benzoyl]piperidine-4-carboxylate
CID 50838501
N-[(2R)-butan-2-yl]-4-[4-(2-methylpropyl)-3-oxoquinoxalin-2-yl]benzamide
CID 92898885
3-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]-1-ethylquinoxalin-2-one
CID 46395214
4-[4-(2-methylpropyl)-3-oxoquinoxalin-2-yl]-N-(2-morpholin-4-ylethyl)benzamide
CID 50838551
2-(4-benzoylpiperazin-1-yl)-4-(2-methylpropyl)pyrido[3,4-b]pyrazin-3-one
CID 53194727
3-[4-(2-methoxybenzoyl)piperazin-1-yl]-1-(2-methylpropyl)quinoxalin-2-one
CID 53131556
3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-ethylquinoxalin-2-one
CID 50835017
(4-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 4740722
N-[3-(azepan-1-yl)propyl]-4-(3-oxo-4-propylquinoxalin-2-yl)benzamide
CID 46395254
(4-ethylpiperazin-1-yl)-[3-(4-methylphenyl)cinnolin-4-yl]methanone
CID 46287905
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-4-(2-methylpropyl)pyrido[3,4-b]pyrazin-3-one
CID 53194693

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-1-(2-methylpropyl)quinoxalin-2-one?
The IUPAC name of 3-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-1-(2-methylpropyl)quinoxalin-2-one (CID 50838544) is 3-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-1-(2-methylpropyl)quinoxalin-2-one.
What is the SMILES notation for 3-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-1-(2-methylpropyl)quinoxalin-2-one?
The canonical SMILES for 3-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-1-(2-methylpropyl)quinoxalin-2-one is CCN1CCN(C(=O)c2ccc(-c3nc4ccccc4n(CC(C)C)c3=O)cc2)CC1.
What is the InChIKey of 3-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-1-(2-methylpropyl)quinoxalin-2-one?
The InChIKey is NPFIEMKORRPLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-4-27-13-15-28(16-14-27)24(30)20-11-9-19(10-12-20)23-25(31)29(17-18(2)3)22-8-6-5-7-21(22)26-23/h5-12,18H,4,13-17H2,1-3H3.
What are the key properties of 3-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-1-(2-methylpropyl)quinoxalin-2-one?
3-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-1-(2-methylpropyl)quinoxalin-2-one has a molecular weight of 418.54 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-1-(2-methylpropyl)quinoxalin-2-one is sourced from PubChem (CID 50838544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).