4-(3-oxo-4-propylquinoxalin-2-yl)-N-phenylbenzamide

C24H21N3O2 — CID 50838506

IUPAC4-(3-oxo-4-propylquinoxalin-2-yl)-N-phenylbenzamide
SMILESCCCn1c(=O)c(-c2ccc(C(=O)Nc3ccccc3)cc2)nc2ccccc21
InChIInChI=1S/C24H21N3O2/c1-2-16-27-21-11-7-6-10-20(21)26-22(24(27)29)17-12-14-18(15-13-17)23(28)25-19-8-4-3-5-9-19/h3-15H,2,16H2,1H3,(H,25,28)
InChIKeyTTZJVTBWCOGHQS-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.73
Rot. Bonds5

About 4-(3-oxo-4-propylquinoxalin-2-yl)-N-phenylbenzamide

4-(3-oxo-4-propylquinoxalin-2-yl)-N-phenylbenzamide (PubChem CID 50838506) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 4-(3-oxo-4-propylquinoxalin-2-yl)-N-phenylbenzamide.

Molecular Properties

Compound Name4-(3-oxo-4-propylquinoxalin-2-yl)-N-phenylbenzamide
PubChem CID50838506
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name4-(3-oxo-4-propylquinoxalin-2-yl)-N-phenylbenzamide
SMILESCCCn1c(=O)c(-c2ccc(C(=O)Nc3ccccc3)cc2)nc2ccccc21
InChIInChI=1S/C24H21N3O2/c1-2-16-27-21-11-7-6-10-20(21)26-22(24(27)29)17-12-14-18(15-13-17)23(28)25-19-8-4-3-5-9-19/h3-15H,2,16H2,1H3,(H,25,28)
InChIKeyTTZJVTBWCOGHQS-UHFFFAOYSA-N
XLogP4.73
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-4-(3-oxo-4-propylquinoxalin-2-yl)benzamide
CID 50838498
4-(4-ethyl-3-oxoquinoxalin-2-yl)-N-(3-methylsulfanylphenyl)benzamide
CID 46395223
N-(3-ethoxypropyl)-4-(3-oxo-4-propylquinoxalin-2-yl)benzamide
CID 50838486
N-[3-(azepan-1-yl)propyl]-4-(3-oxo-4-propylquinoxalin-2-yl)benzamide
CID 46395254
N-[(2R)-butan-2-yl]-4-[4-(2-methylpropyl)-3-oxoquinoxalin-2-yl]benzamide
CID 92898885
4-(4-methyl-3-oxoquinoxalin-2-yl)-N-propan-2-ylbenzamide
CID 46395275
4-ethyl-N-(4-methylphenyl)-3-oxoquinoxaline-2-carboxamide
CID 46249419
4-(3-oxo-4-propylpyrido[2,3-b]pyrazin-2-yl)-N-[(1R)-1-phenylethyl]benzamide
CID 92884755
1-(methylsulfanylmethyl)-3-phenylquinoxalin-2-one
CID 56693755
2-phenyl-3-(1-propylbenzimidazol-2-yl)quinoxaline
CID 4527430
4-ethyl-N-(4-fluorophenyl)-3-oxoquinoxaline-2-carboxamide
CID 50808114
N-(1-octylbenzimidazol-2-yl)benzamide
CID 21449929

Frequently Asked Questions

What is the IUPAC name of 4-(3-oxo-4-propylquinoxalin-2-yl)-N-phenylbenzamide?
The IUPAC name of 4-(3-oxo-4-propylquinoxalin-2-yl)-N-phenylbenzamide (CID 50838506) is 4-(3-oxo-4-propylquinoxalin-2-yl)-N-phenylbenzamide.
What is the SMILES notation for 4-(3-oxo-4-propylquinoxalin-2-yl)-N-phenylbenzamide?
The canonical SMILES for 4-(3-oxo-4-propylquinoxalin-2-yl)-N-phenylbenzamide is CCCn1c(=O)c(-c2ccc(C(=O)Nc3ccccc3)cc2)nc2ccccc21.
What is the InChIKey of 4-(3-oxo-4-propylquinoxalin-2-yl)-N-phenylbenzamide?
The InChIKey is TTZJVTBWCOGHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-2-16-27-21-11-7-6-10-20(21)26-22(24(27)29)17-12-14-18(15-13-17)23(28)25-19-8-4-3-5-9-19/h3-15H,2,16H2,1H3,(H,25,28).
What are the key properties of 4-(3-oxo-4-propylquinoxalin-2-yl)-N-phenylbenzamide?
4-(3-oxo-4-propylquinoxalin-2-yl)-N-phenylbenzamide has a molecular weight of 383.45 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-oxo-4-propylquinoxalin-2-yl)-N-phenylbenzamide is sourced from PubChem (CID 50838506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).