2-[3-[acetyl(cyclohexyl)amino]-2-oxoquinoxalin-1-yl]-N-(2-methoxyphenyl)acetamide

C25H28N4O4 — CID 53097850

IUPAC2-[3-[acetyl(cyclohexyl)amino]-2-oxoquinoxalin-1-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)Cn1c(=O)c(N(C(C)=O)C2CCCCC2)nc2ccccc21
InChIInChI=1S/C25H28N4O4/c1-17(30)29(18-10-4-3-5-11-18)24-25(32)28(21-14-8-6-12-19(21)27-24)16-23(31)26-20-13-7-9-15-22(20)33-2/h6-9,12-15,18H,3-5,10-11,16H2,1-2H3,(H,26,31)
InChIKeyKUGQRCOSYMSGFQ-UHFFFAOYSA-N
MW448.52 g/mol
LogP3.73
Rot. Bonds6

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

2-[3-[acetyl(cyclohexyl)amino]-2-oxoquinoxalin-1-yl]-N-(2-methoxyphenyl)acetamide (PubChem CID 53097850) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is 2-[3-[acetyl(cyclohexyl)amino]-2-oxoquinoxalin-1-yl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[3-[acetyl(cyclohexyl)amino]-2-oxoquinoxalin-1-yl]-N-(2-methoxyphenyl)acetamide
PubChem CID53097850
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC Name2-[3-[acetyl(cyclohexyl)amino]-2-oxoquinoxalin-1-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)Cn1c(=O)c(N(C(C)=O)C2CCCCC2)nc2ccccc21
InChIInChI=1S/C25H28N4O4/c1-17(30)29(18-10-4-3-5-11-18)24-25(32)28(21-14-8-6-12-19(21)27-24)16-23(31)26-20-13-7-9-15-22(20)33-2/h6-9,12-15,18H,3-5,10-11,16H2,1-2H3,(H,26,31)
InChIKeyKUGQRCOSYMSGFQ-UHFFFAOYSA-N
XLogP3.73
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[acetyl(cyclohexyl)amino]-2-oxoquinoxalin-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 53097859
2-(2-ethylbenzimidazol-1-yl)-N-(2-methoxyphenyl)acetamide
CID 5023490
N-(2-methoxyphenyl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 17426644
2-[3-[acetyl(ethyl)amino]-2-oxoquinoxalin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 53097799
N-(2-methoxyphenyl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 860126
N-cyclopropyl-3-[4-[2-(2-ethoxyanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]propanamide
CID 46391445
N-[4-[2-(2-bromoanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide
CID 53097745
N-(2-methoxyphenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide
CID 17032255
N-(2-cyclopentyloxyphenyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 55807750
N-[2-[1-[2-(2-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide
CID 17030325
2-[3-[acetyl(ethyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-chloro-2-methylphenyl)acetamide
CID 53097803
2-[2-(3-fluorobenzoyl)benzimidazol-1-yl]-N-(2-methoxyphenyl)acetamide
CID 46289010

Frequently Asked Questions

What is the IUPAC name of 2-[3-[acetyl(cyclohexyl)amino]-2-oxoquinoxalin-1-yl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[3-[acetyl(cyclohexyl)amino]-2-oxoquinoxalin-1-yl]-N-(2-methoxyphenyl)acetamide (CID 53097850) is 2-[3-[acetyl(cyclohexyl)amino]-2-oxoquinoxalin-1-yl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[3-[acetyl(cyclohexyl)amino]-2-oxoquinoxalin-1-yl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[3-[acetyl(cyclohexyl)amino]-2-oxoquinoxalin-1-yl]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)Cn1c(=O)c(N(C(C)=O)C2CCCCC2)nc2ccccc21.
What is the InChIKey of 2-[3-[acetyl(cyclohexyl)amino]-2-oxoquinoxalin-1-yl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is KUGQRCOSYMSGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-17(30)29(18-10-4-3-5-11-18)24-25(32)28(21-14-8-6-12-19(21)27-24)16-23(31)26-20-13-7-9-15-22(20)33-2/h6-9,12-15,18H,3-5,10-11,16H2,1-2H3,(H,26,31).
What are the key properties of 2-[3-[acetyl(cyclohexyl)amino]-2-oxoquinoxalin-1-yl]-N-(2-methoxyphenyl)acetamide?
2-[3-[acetyl(cyclohexyl)amino]-2-oxoquinoxalin-1-yl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 448.52 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[acetyl(cyclohexyl)amino]-2-oxoquinoxalin-1-yl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 53097850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).