2-[3-[acetyl(benzyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-chloro-4-fluorophenyl)acetamide

C25H20ClFN4O3 — CID 53097867

IUPAC2-[3-[acetyl(benzyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-chloro-4-fluorophenyl)acetamide
SMILESCC(=O)N(Cc1ccccc1)c1nc2ccccc2n(CC(=O)Nc2ccc(F)c(Cl)c2)c1=O
InChIInChI=1S/C25H20ClFN4O3/c1-16(32)30(14-17-7-3-2-4-8-17)24-25(34)31(22-10-6-5-9-21(22)29-24)15-23(33)28-18-11-12-20(27)19(26)13-18/h2-13H,14-15H2,1H3,(H,28,33)
InChIKeyQUAXNZUPDVNREE-UHFFFAOYSA-N
MW478.91 g/mol
LogP4.38
Rot. Bonds6

About 2-[3-[acetyl(benzyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-chloro-4-fluorophenyl)acetamide

2-[3-[acetyl(benzyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-chloro-4-fluorophenyl)acetamide (PubChem CID 53097867) has the molecular formula C25H20ClFN4O3 and a molecular weight of 478.91 g/mol. Its IUPAC name is 2-[3-[acetyl(benzyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-chloro-4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-[acetyl(benzyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-chloro-4-fluorophenyl)acetamide
PubChem CID53097867
Molecular FormulaC25H20ClFN4O3
Molecular Weight478.91 g/mol
Exact Mass478.12
IUPAC Name2-[3-[acetyl(benzyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-chloro-4-fluorophenyl)acetamide
SMILESCC(=O)N(Cc1ccccc1)c1nc2ccccc2n(CC(=O)Nc2ccc(F)c(Cl)c2)c1=O
InChIInChI=1S/C25H20ClFN4O3/c1-16(32)30(14-17-7-3-2-4-8-17)24-25(34)31(22-10-6-5-9-21(22)29-24)15-23(33)28-18-11-12-20(27)19(26)13-18/h2-13H,14-15H2,1H3,(H,28,33)
InChIKeyQUAXNZUPDVNREE-UHFFFAOYSA-N
XLogP4.38
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.91
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[acetyl-[(4-fluorophenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(4-fluorophenyl)acetamide
CID 53045916
2-[3-[acetyl-[(4-fluorophenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 53045942
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-(3-fluorophenyl)acetamide
CID 53097796
N-[2-[4-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]phenyl]-2-methylpropanamide
CID 46367572
2-[3-[acetyl-[(2-chlorophenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 53045954
2-[3-[acetyl(ethyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-chloro-2-methylphenyl)acetamide
CID 53097803
2-[3-[acetyl(methyl)amino]-2-oxoquinoxalin-1-yl]-N-(4-ethylphenyl)acetamide
CID 53097720
N-[4-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide
CID 53097761
2-[3-[acetyl-[(2-methylphenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 53045857
2-[3-[acetyl(ethyl)amino]-2-oxoquinoxalin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 53097799
N-benzyl-3-[4-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]propanamide
CID 50833138

Frequently Asked Questions

What is the IUPAC name of 2-[3-[acetyl(benzyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-chloro-4-fluorophenyl)acetamide?
The IUPAC name of 2-[3-[acetyl(benzyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-chloro-4-fluorophenyl)acetamide (CID 53097867) is 2-[3-[acetyl(benzyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-chloro-4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[3-[acetyl(benzyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-chloro-4-fluorophenyl)acetamide?
The canonical SMILES for 2-[3-[acetyl(benzyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-chloro-4-fluorophenyl)acetamide is CC(=O)N(Cc1ccccc1)c1nc2ccccc2n(CC(=O)Nc2ccc(F)c(Cl)c2)c1=O.
What is the InChIKey of 2-[3-[acetyl(benzyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-chloro-4-fluorophenyl)acetamide?
The InChIKey is QUAXNZUPDVNREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClFN4O3/c1-16(32)30(14-17-7-3-2-4-8-17)24-25(34)31(22-10-6-5-9-21(22)29-24)15-23(33)28-18-11-12-20(27)19(26)13-18/h2-13H,14-15H2,1H3,(H,28,33).
What are the key properties of 2-[3-[acetyl(benzyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-chloro-4-fluorophenyl)acetamide?
2-[3-[acetyl(benzyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-chloro-4-fluorophenyl)acetamide has a molecular weight of 478.91 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[acetyl(benzyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-chloro-4-fluorophenyl)acetamide is sourced from PubChem (CID 53097867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).