2-[3-[acetyl-[(2-methylphenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(2,5-dimethylphenyl)acetamide

C28H28N4O3 — CID 53045857

IUPAC2-[3-[acetyl-[(2-methylphenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(2,5-dimethylphenyl)acetamide
SMILESCC(=O)N(Cc1ccccc1C)c1nc2ccccc2n(CC(=O)Nc2cc(C)ccc2C)c1=O
InChIInChI=1S/C28H28N4O3/c1-18-13-14-20(3)24(15-18)29-26(34)17-32-25-12-8-7-11-23(25)30-27(28(32)35)31(21(4)33)16-22-10-6-5-9-19(22)2/h5-15H,16-17H2,1-4H3,(H,29,34)
InChIKeyFZYYBQYRFZVNJA-UHFFFAOYSA-N
MW468.56 g/mol
LogP4.51
Rot. Bonds6

About 2-[3-[acetyl-[(2-methylphenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(2,5-dimethylphenyl)acetamide

2-[3-[acetyl-[(2-methylphenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(2,5-dimethylphenyl)acetamide (PubChem CID 53045857) has the molecular formula C28H28N4O3 and a molecular weight of 468.56 g/mol. Its IUPAC name is 2-[3-[acetyl-[(2-methylphenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-[acetyl-[(2-methylphenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(2,5-dimethylphenyl)acetamide
PubChem CID53045857
Molecular FormulaC28H28N4O3
Molecular Weight468.56 g/mol
Exact Mass468.22
IUPAC Name2-[3-[acetyl-[(2-methylphenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(2,5-dimethylphenyl)acetamide
SMILESCC(=O)N(Cc1ccccc1C)c1nc2ccccc2n(CC(=O)Nc2cc(C)ccc2C)c1=O
InChIInChI=1S/C28H28N4O3/c1-18-13-14-20(3)24(15-18)29-26(34)17-32-25-12-8-7-11-23(25)30-27(28(32)35)31(21(4)33)16-22-10-6-5-9-19(22)2/h5-15H,16-17H2,1-4H3,(H,29,34)
InChIKeyFZYYBQYRFZVNJA-UHFFFAOYSA-N
XLogP4.51
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[acetyl-[(2-chlorophenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 53045954
2-[3-[acetyl-[(4-methylphenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(3,5-difluorophenyl)acetamide
CID 53045873
2-[3-[acetyl(ethyl)amino]-2-oxoquinoxalin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 53097799
2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 17032461
2-[3-[acetyl(ethyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-chloro-2-methylphenyl)acetamide
CID 53097803
2-[3-[acetyl-[(4-fluorophenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(4-fluorophenyl)acetamide
CID 53045916
N-(2,5-dimethylphenyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 17031795
2-[3-[acetyl(ethyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-fluorophenyl)acetamide
CID 53097796
2-[3-[acetyl(benzyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 53097867
(2S)-2-[3-[acetyl(methyl)amino]-2-oxoquinoxalin-1-yl]-N-(2,5-dimethylphenyl)propanamide
CID 95081159
N-(2,5-dimethylphenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide
CID 17032273
ethyl 2-[1-[2-(2,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]sulfanylacetate
CID 3870562

Frequently Asked Questions

What is the IUPAC name of 2-[3-[acetyl-[(2-methylphenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[3-[acetyl-[(2-methylphenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(2,5-dimethylphenyl)acetamide (CID 53045857) is 2-[3-[acetyl-[(2-methylphenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[3-[acetyl-[(2-methylphenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[3-[acetyl-[(2-methylphenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(2,5-dimethylphenyl)acetamide is CC(=O)N(Cc1ccccc1C)c1nc2ccccc2n(CC(=O)Nc2cc(C)ccc2C)c1=O.
What is the InChIKey of 2-[3-[acetyl-[(2-methylphenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(2,5-dimethylphenyl)acetamide?
The InChIKey is FZYYBQYRFZVNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O3/c1-18-13-14-20(3)24(15-18)29-26(34)17-32-25-12-8-7-11-23(25)30-27(28(32)35)31(21(4)33)16-22-10-6-5-9-19(22)2/h5-15H,16-17H2,1-4H3,(H,29,34).
What are the key properties of 2-[3-[acetyl-[(2-methylphenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(2,5-dimethylphenyl)acetamide?
2-[3-[acetyl-[(2-methylphenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 468.56 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[acetyl-[(2-methylphenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 53045857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).