N-(4-acetamidophenyl)-4-(3-oxo-4-propylquinoxalin-2-yl)benzamide

C26H24N4O3 — CID 50838498

IUPACN-(4-acetamidophenyl)-4-(3-oxo-4-propylquinoxalin-2-yl)benzamide
SMILESCCCn1c(=O)c(-c2ccc(C(=O)Nc3ccc(NC(C)=O)cc3)cc2)nc2ccccc21
InChIInChI=1S/C26H24N4O3/c1-3-16-30-23-7-5-4-6-22(23)29-24(26(30)33)18-8-10-19(11-9-18)25(32)28-21-14-12-20(13-15-21)27-17(2)31/h4-15H,3,16H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyQMYWZNBRKUYDMX-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.68
Rot. Bonds6

About N-(4-acetamidophenyl)-4-(3-oxo-4-propylquinoxalin-2-yl)benzamide

N-(4-acetamidophenyl)-4-(3-oxo-4-propylquinoxalin-2-yl)benzamide (PubChem CID 50838498) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-4-(3-oxo-4-propylquinoxalin-2-yl)benzamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-4-(3-oxo-4-propylquinoxalin-2-yl)benzamide
PubChem CID50838498
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC NameN-(4-acetamidophenyl)-4-(3-oxo-4-propylquinoxalin-2-yl)benzamide
SMILESCCCn1c(=O)c(-c2ccc(C(=O)Nc3ccc(NC(C)=O)cc3)cc2)nc2ccccc21
InChIInChI=1S/C26H24N4O3/c1-3-16-30-23-7-5-4-6-22(23)29-24(26(30)33)18-8-10-19(11-9-18)25(32)28-21-14-12-20(13-15-21)27-17(2)31/h4-15H,3,16H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyQMYWZNBRKUYDMX-UHFFFAOYSA-N
XLogP4.68
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-oxo-4-propylquinoxalin-2-yl)-N-phenylbenzamide
CID 50838506
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
4-(4-ethyl-3-oxoquinoxalin-2-yl)-N-(3-methylsulfanylphenyl)benzamide
CID 46395223
4-acetamido-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
CID 134036907
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
N-(2-aminophenyl)-4-[(1-propylbenzimidazol-2-yl)amino]benzamide
CID 88993158
4-ethyl-N-(4-fluorophenyl)-3-oxoquinoxaline-2-carboxamide
CID 50808114
4-(3-oxo-4-propylpyrido[2,3-b]pyrazin-2-yl)-N-[(1R)-1-phenylethyl]benzamide
CID 92884755
3-fluoro-4-methyl-N-[4-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]benzamide
CID 46290775

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-4-(3-oxo-4-propylquinoxalin-2-yl)benzamide?
The IUPAC name of N-(4-acetamidophenyl)-4-(3-oxo-4-propylquinoxalin-2-yl)benzamide (CID 50838498) is N-(4-acetamidophenyl)-4-(3-oxo-4-propylquinoxalin-2-yl)benzamide.
What is the SMILES notation for N-(4-acetamidophenyl)-4-(3-oxo-4-propylquinoxalin-2-yl)benzamide?
The canonical SMILES for N-(4-acetamidophenyl)-4-(3-oxo-4-propylquinoxalin-2-yl)benzamide is CCCn1c(=O)c(-c2ccc(C(=O)Nc3ccc(NC(C)=O)cc3)cc2)nc2ccccc21.
What is the InChIKey of N-(4-acetamidophenyl)-4-(3-oxo-4-propylquinoxalin-2-yl)benzamide?
The InChIKey is QMYWZNBRKUYDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-3-16-30-23-7-5-4-6-22(23)29-24(26(30)33)18-8-10-19(11-9-18)25(32)28-21-14-12-20(13-15-21)27-17(2)31/h4-15H,3,16H2,1-2H3,(H,27,31)(H,28,32).
What are the key properties of N-(4-acetamidophenyl)-4-(3-oxo-4-propylquinoxalin-2-yl)benzamide?
N-(4-acetamidophenyl)-4-(3-oxo-4-propylquinoxalin-2-yl)benzamide has a molecular weight of 440.50 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-4-(3-oxo-4-propylquinoxalin-2-yl)benzamide is sourced from PubChem (CID 50838498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).