2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2-methylphenyl)propanamide

C27H26N4O3 — CID 50747281

IUPAC2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2-methylphenyl)propanamide
SMILESCC(=O)Nc1ccc(C)cc1-c1nc2ccccc2n(C(C)C(=O)Nc2ccccc2C)c1=O
InChIInChI=1S/C27H26N4O3/c1-16-13-14-22(28-19(4)32)20(15-16)25-27(34)31(24-12-8-7-11-23(24)29-25)18(3)26(33)30-21-10-6-5-9-17(21)2/h5-15,18H,1-4H3,(H,28,32)(H,30,33)
InChIKeyWTVRDIWDDWIIMZ-UHFFFAOYSA-N
MW454.53 g/mol
LogP4.84
Rot. Bonds5

About 2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2-methylphenyl)propanamide

2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2-methylphenyl)propanamide (PubChem CID 50747281) has the molecular formula C27H26N4O3 and a molecular weight of 454.53 g/mol. Its IUPAC name is 2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2-methylphenyl)propanamide
PubChem CID50747281
Molecular FormulaC27H26N4O3
Molecular Weight454.53 g/mol
Exact Mass454.20
IUPAC Name2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2-methylphenyl)propanamide
SMILESCC(=O)Nc1ccc(C)cc1-c1nc2ccccc2n(C(C)C(=O)Nc2ccccc2C)c1=O
InChIInChI=1S/C27H26N4O3/c1-16-13-14-22(28-19(4)32)20(15-16)25-27(34)31(24-12-8-7-11-23(24)29-25)18(3)26(33)30-21-10-6-5-9-17(21)2/h5-15,18H,1-4H3,(H,28,32)(H,30,33)
InChIKeyWTVRDIWDDWIIMZ-UHFFFAOYSA-N
XLogP4.84
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2-methylphenyl)propanamide?
The IUPAC name of 2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2-methylphenyl)propanamide (CID 50747281) is 2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2-methylphenyl)propanamide?
The canonical SMILES for 2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2-methylphenyl)propanamide is CC(=O)Nc1ccc(C)cc1-c1nc2ccccc2n(C(C)C(=O)Nc2ccccc2C)c1=O.
What is the InChIKey of 2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2-methylphenyl)propanamide?
The InChIKey is WTVRDIWDDWIIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O3/c1-16-13-14-22(28-19(4)32)20(15-16)25-27(34)31(24-12-8-7-11-23(24)29-25)18(3)26(33)30-21-10-6-5-9-17(21)2/h5-15,18H,1-4H3,(H,28,32)(H,30,33).
What are the key properties of 2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2-methylphenyl)propanamide?
2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2-methylphenyl)propanamide has a molecular weight of 454.53 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 50747281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).