2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(4-acetylphenyl)propanamide

C27H24N4O4 — CID 20894940

IUPAC2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(4-acetylphenyl)propanamide
SMILESCC(=O)Nc1ccccc1-c1nc2ccccc2n(C(C)C(=O)Nc2ccc(C(C)=O)cc2)c1=O
InChIInChI=1S/C27H24N4O4/c1-16(26(34)29-20-14-12-19(13-15-20)17(2)32)31-24-11-7-6-10-23(24)30-25(27(31)35)21-8-4-5-9-22(21)28-18(3)33/h4-16H,1-3H3,(H,28,33)(H,29,34)
InChIKeyFEEPFCJUQCYPQV-UHFFFAOYSA-N
MW468.51 g/mol
LogP4.42
Rot. Bonds6

About 2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(4-acetylphenyl)propanamide

2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(4-acetylphenyl)propanamide (PubChem CID 20894940) has the molecular formula C27H24N4O4 and a molecular weight of 468.51 g/mol. Its IUPAC name is 2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(4-acetylphenyl)propanamide.

Molecular Properties

Compound Name2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(4-acetylphenyl)propanamide
PubChem CID20894940
Molecular FormulaC27H24N4O4
Molecular Weight468.51 g/mol
Exact Mass468.18
IUPAC Name2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(4-acetylphenyl)propanamide
SMILESCC(=O)Nc1ccccc1-c1nc2ccccc2n(C(C)C(=O)Nc2ccc(C(C)=O)cc2)c1=O
InChIInChI=1S/C27H24N4O4/c1-16(26(34)29-20-14-12-19(13-15-20)17(2)32)31-24-11-7-6-10-23(24)30-25(27(31)35)21-8-4-5-9-22(21)28-18(3)33/h4-16H,1-3H3,(H,28,33)(H,29,34)
InChIKeyFEEPFCJUQCYPQV-UHFFFAOYSA-N
XLogP4.42
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(4-acetylphenyl)propanamide?
The IUPAC name of 2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(4-acetylphenyl)propanamide (CID 20894940) is 2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(4-acetylphenyl)propanamide.
What is the SMILES notation for 2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(4-acetylphenyl)propanamide?
The canonical SMILES for 2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(4-acetylphenyl)propanamide is CC(=O)Nc1ccccc1-c1nc2ccccc2n(C(C)C(=O)Nc2ccc(C(C)=O)cc2)c1=O.
What is the InChIKey of 2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(4-acetylphenyl)propanamide?
The InChIKey is FEEPFCJUQCYPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O4/c1-16(26(34)29-20-14-12-19(13-15-20)17(2)32)31-24-11-7-6-10-23(24)30-25(27(31)35)21-8-4-5-9-22(21)28-18(3)33/h4-16H,1-3H3,(H,28,33)(H,29,34).
What are the key properties of 2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(4-acetylphenyl)propanamide?
2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(4-acetylphenyl)propanamide has a molecular weight of 468.51 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(4-acetylphenyl)propanamide is sourced from PubChem (CID 20894940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).