2-(2-acetamidophenyl)-3-oxo-N-(3-phenylpropyl)-4H-quinoxaline-6-carboxamide

C26H24N4O3 — CID 122176077

IUPAC2-(2-acetamidophenyl)-3-oxo-N-(3-phenylpropyl)-4H-quinoxaline-6-carboxamide
SMILESCC(=O)Nc1ccccc1-c1nc2ccc(C(=O)NCCCc3ccccc3)cc2[nH]c1=O
InChIInChI=1S/C26H24N4O3/c1-17(31)28-21-12-6-5-11-20(21)24-26(33)30-23-16-19(13-14-22(23)29-24)25(32)27-15-7-10-18-8-3-2-4-9-18/h2-6,8-9,11-14,16H,7,10,15H2,1H3,(H,27,32)(H,28,31)(H,30,33)
InChIKeyKFDCTZQFFPQMDY-UHFFFAOYSA-N
MW440.50 g/mol
LogP3.91
Rot. Bonds7

About 2-(2-acetamidophenyl)-3-oxo-N-(3-phenylpropyl)-4H-quinoxaline-6-carboxamide

2-(2-acetamidophenyl)-3-oxo-N-(3-phenylpropyl)-4H-quinoxaline-6-carboxamide (PubChem CID 122176077) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is 2-(2-acetamidophenyl)-3-oxo-N-(3-phenylpropyl)-4H-quinoxaline-6-carboxamide.

Molecular Properties

Compound Name2-(2-acetamidophenyl)-3-oxo-N-(3-phenylpropyl)-4H-quinoxaline-6-carboxamide
PubChem CID122176077
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC Name2-(2-acetamidophenyl)-3-oxo-N-(3-phenylpropyl)-4H-quinoxaline-6-carboxamide
SMILESCC(=O)Nc1ccccc1-c1nc2ccc(C(=O)NCCCc3ccccc3)cc2[nH]c1=O
InChIInChI=1S/C26H24N4O3/c1-17(31)28-21-12-6-5-11-20(21)24-26(33)30-23-16-19(13-14-22(23)29-24)25(32)27-15-7-10-18-8-3-2-4-9-18/h2-6,8-9,11-14,16H,7,10,15H2,1H3,(H,27,32)(H,28,31)(H,30,33)
InChIKeyKFDCTZQFFPQMDY-UHFFFAOYSA-N
XLogP3.91
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(6-methyl-3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide
CID 3163691
2-[2-(4-acetamidophenyl)ethyl]-N-(3-phenylpropyl)-3H-benzimidazole-5-carboxamide
CID 46335013
4-(2-methylphenyl)-N-(3-phenylpropyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
CID 118952806
2-[(Z)-2-hydroxy-2-(4-methoxyphenyl)ethenyl]-3-oxo-N-(2-phenylethyl)-4H-quinoxaline-6-carboxamide
CID 135522116
2,2,2-trifluoro-N-[2-(6-methyl-3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide
CID 8007173
N-(2-acetamidoethyl)-2-phenyl-3H-benzimidazole-5-carboxamide
CID 110766096
N-hydroxy-3-oxo-2-(2-phenylethyl)-4H-quinoxaline-6-carboxamide
CID 71815543
2,4-dimethyl-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide
CID 100766377
N-[3-(2-methoxyphenyl)propyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 46963232
N-[2-[6-[2-(butylamino)-4-methyl-1,3-thiazole-5-carbonyl]-3-oxo-4H-quinoxalin-2-yl]phenyl]propanamide
CID 75361249
N-[2-(4-fluorophenyl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 110692472
2-methyl-N-propyl-3H-benzimidazole-5-carboxamide
CID 594617

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamidophenyl)-3-oxo-N-(3-phenylpropyl)-4H-quinoxaline-6-carboxamide?
The IUPAC name of 2-(2-acetamidophenyl)-3-oxo-N-(3-phenylpropyl)-4H-quinoxaline-6-carboxamide (CID 122176077) is 2-(2-acetamidophenyl)-3-oxo-N-(3-phenylpropyl)-4H-quinoxaline-6-carboxamide.
What is the SMILES notation for 2-(2-acetamidophenyl)-3-oxo-N-(3-phenylpropyl)-4H-quinoxaline-6-carboxamide?
The canonical SMILES for 2-(2-acetamidophenyl)-3-oxo-N-(3-phenylpropyl)-4H-quinoxaline-6-carboxamide is CC(=O)Nc1ccccc1-c1nc2ccc(C(=O)NCCCc3ccccc3)cc2[nH]c1=O.
What is the InChIKey of 2-(2-acetamidophenyl)-3-oxo-N-(3-phenylpropyl)-4H-quinoxaline-6-carboxamide?
The InChIKey is KFDCTZQFFPQMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-17(31)28-21-12-6-5-11-20(21)24-26(33)30-23-16-19(13-14-22(23)29-24)25(32)27-15-7-10-18-8-3-2-4-9-18/h2-6,8-9,11-14,16H,7,10,15H2,1H3,(H,27,32)(H,28,31)(H,30,33).
What are the key properties of 2-(2-acetamidophenyl)-3-oxo-N-(3-phenylpropyl)-4H-quinoxaline-6-carboxamide?
2-(2-acetamidophenyl)-3-oxo-N-(3-phenylpropyl)-4H-quinoxaline-6-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 3.91, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamidophenyl)-3-oxo-N-(3-phenylpropyl)-4H-quinoxaline-6-carboxamide is sourced from PubChem (CID 122176077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).