2-[3-[acetyl(cyclohexyl)amino]-2-oxoquinoxalin-1-yl]-N-(3,4-dimethylphenyl)acetamide

C26H30N4O3 — CID 53097859

IUPAC2-[3-[acetyl(cyclohexyl)amino]-2-oxoquinoxalin-1-yl]-N-(3,4-dimethylphenyl)acetamide
SMILESCC(=O)N(c1nc2ccccc2n(CC(=O)Nc2ccc(C)c(C)c2)c1=O)C1CCCCC1
InChIInChI=1S/C26H30N4O3/c1-17-13-14-20(15-18(17)2)27-24(32)16-29-23-12-8-7-11-22(23)28-25(26(29)33)30(19(3)31)21-9-5-4-6-10-21/h7-8,11-15,21H,4-6,9-10,16H2,1-3H3,(H,27,32)
InChIKeyXERTUVXQIQCSQZ-UHFFFAOYSA-N
MW446.55 g/mol
LogP4.34
Rot. Bonds5

About 2-[3-[acetyl(cyclohexyl)amino]-2-oxoquinoxalin-1-yl]-N-(3,4-dimethylphenyl)acetamide

2-[3-[acetyl(cyclohexyl)amino]-2-oxoquinoxalin-1-yl]-N-(3,4-dimethylphenyl)acetamide (PubChem CID 53097859) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is 2-[3-[acetyl(cyclohexyl)amino]-2-oxoquinoxalin-1-yl]-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-[acetyl(cyclohexyl)amino]-2-oxoquinoxalin-1-yl]-N-(3,4-dimethylphenyl)acetamide
PubChem CID53097859
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC Name2-[3-[acetyl(cyclohexyl)amino]-2-oxoquinoxalin-1-yl]-N-(3,4-dimethylphenyl)acetamide
SMILESCC(=O)N(c1nc2ccccc2n(CC(=O)Nc2ccc(C)c(C)c2)c1=O)C1CCCCC1
InChIInChI=1S/C26H30N4O3/c1-17-13-14-20(15-18(17)2)27-24(32)16-29-23-12-8-7-11-22(23)28-25(26(29)33)30(19(3)31)21-9-5-4-6-10-21/h7-8,11-15,21H,4-6,9-10,16H2,1-3H3,(H,27,32)
InChIKeyXERTUVXQIQCSQZ-UHFFFAOYSA-N
XLogP4.34
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[acetyl(cyclohexyl)amino]-2-oxoquinoxalin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 53097850
N-(3,4-dimethylphenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide
CID 42971045
2-[3-[acetyl(methyl)amino]-2-oxoquinoxalin-1-yl]-N-(4-ethylphenyl)acetamide
CID 53097720
2-[acetyl(cyclohexyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 113159503
2-[3-[acetyl(ethyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-fluorophenyl)acetamide
CID 53097796
N-(3,4-dimethylphenyl)-2-[2-[[(3R)-1,1-dioxothiolan-3-yl]methyl]benzimidazol-1-yl]acetamide
CID 8006671
N-[1-[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 17030150
N-(3,4-dimethylphenyl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17033048
N-(3,4-dimethylphenyl)-2-(3-ethyl-2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)acetamide
CID 17035867
N-[[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide
CID 17029087
N-methyl-N-[4-[2-(3-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]propanamide
CID 53097764
2-[3-[acetyl-[(4-fluorophenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(4-fluorophenyl)acetamide
CID 53045916

Frequently Asked Questions

What is the IUPAC name of 2-[3-[acetyl(cyclohexyl)amino]-2-oxoquinoxalin-1-yl]-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[3-[acetyl(cyclohexyl)amino]-2-oxoquinoxalin-1-yl]-N-(3,4-dimethylphenyl)acetamide (CID 53097859) is 2-[3-[acetyl(cyclohexyl)amino]-2-oxoquinoxalin-1-yl]-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[3-[acetyl(cyclohexyl)amino]-2-oxoquinoxalin-1-yl]-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[3-[acetyl(cyclohexyl)amino]-2-oxoquinoxalin-1-yl]-N-(3,4-dimethylphenyl)acetamide is CC(=O)N(c1nc2ccccc2n(CC(=O)Nc2ccc(C)c(C)c2)c1=O)C1CCCCC1.
What is the InChIKey of 2-[3-[acetyl(cyclohexyl)amino]-2-oxoquinoxalin-1-yl]-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is XERTUVXQIQCSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-17-13-14-20(15-18(17)2)27-24(32)16-29-23-12-8-7-11-22(23)28-25(26(29)33)30(19(3)31)21-9-5-4-6-10-21/h7-8,11-15,21H,4-6,9-10,16H2,1-3H3,(H,27,32).
What are the key properties of 2-[3-[acetyl(cyclohexyl)amino]-2-oxoquinoxalin-1-yl]-N-(3,4-dimethylphenyl)acetamide?
2-[3-[acetyl(cyclohexyl)amino]-2-oxoquinoxalin-1-yl]-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 446.55 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[acetyl(cyclohexyl)amino]-2-oxoquinoxalin-1-yl]-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 53097859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).