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

C25H20F2N4O3 — CID 53045916

IUPAC2-[3-[acetyl-[(4-fluorophenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCC(=O)N(Cc1ccc(F)cc1)c1nc2ccccc2n(CC(=O)Nc2ccc(F)cc2)c1=O
InChIInChI=1S/C25H20F2N4O3/c1-16(32)30(14-17-6-8-18(26)9-7-17)24-25(34)31(22-5-3-2-4-21(22)29-24)15-23(33)28-20-12-10-19(27)11-13-20/h2-13H,14-15H2,1H3,(H,28,33)
InChIKeyLGFCXVOQGCWMLL-UHFFFAOYSA-N
MW462.46 g/mol
LogP3.87
Rot. Bonds6

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

2-[3-[acetyl-[(4-fluorophenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 53045916) has the molecular formula C25H20F2N4O3 and a molecular weight of 462.46 g/mol. Its IUPAC name is 2-[3-[acetyl-[(4-fluorophenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-[acetyl-[(4-fluorophenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(4-fluorophenyl)acetamide
PubChem CID53045916
Molecular FormulaC25H20F2N4O3
Molecular Weight462.46 g/mol
Exact Mass462.15
IUPAC Name2-[3-[acetyl-[(4-fluorophenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCC(=O)N(Cc1ccc(F)cc1)c1nc2ccccc2n(CC(=O)Nc2ccc(F)cc2)c1=O
InChIInChI=1S/C25H20F2N4O3/c1-16(32)30(14-17-6-8-18(26)9-7-17)24-25(34)31(22-5-3-2-4-21(22)29-24)15-23(33)28-20-12-10-19(27)11-13-20/h2-13H,14-15H2,1H3,(H,28,33)
InChIKeyLGFCXVOQGCWMLL-UHFFFAOYSA-N
XLogP3.87
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.46
LogP ≤ 53.87
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-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(benzyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 53097867
2-[3-[acetyl(ethyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-fluorophenyl)acetamide
CID 53097796
2-[3-[acetyl(methyl)amino]-2-oxoquinoxalin-1-yl]-N-(4-ethylphenyl)acetamide
CID 53097720
N-[4-[2-(4-ethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide
CID 53097778
2-[3-[acetyl(ethyl)amino]-2-oxoquinoxalin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 53097799
2-(2-benzylbenzimidazol-1-yl)-N-(4-fluorophenyl)acetamide
CID 17032358
2-[3-[acetyl-[(2-methylphenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 53045857
N-(4-fluorophenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide
CID 17032697
N-(4-fluorophenyl)-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide
CID 17032599
2-[3-[acetyl(ethyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-chloro-2-methylphenyl)acetamide
CID 53097803

Frequently Asked Questions

What is the IUPAC name of 2-[3-[acetyl-[(4-fluorophenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[3-[acetyl-[(4-fluorophenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(4-fluorophenyl)acetamide (CID 53045916) is 2-[3-[acetyl-[(4-fluorophenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[3-[acetyl-[(4-fluorophenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[3-[acetyl-[(4-fluorophenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(4-fluorophenyl)acetamide is CC(=O)N(Cc1ccc(F)cc1)c1nc2ccccc2n(CC(=O)Nc2ccc(F)cc2)c1=O.
What is the InChIKey of 2-[3-[acetyl-[(4-fluorophenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is LGFCXVOQGCWMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N4O3/c1-16(32)30(14-17-6-8-18(26)9-7-17)24-25(34)31(22-5-3-2-4-21(22)29-24)15-23(33)28-20-12-10-19(27)11-13-20/h2-13H,14-15H2,1H3,(H,28,33).
What are the key properties of 2-[3-[acetyl-[(4-fluorophenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(4-fluorophenyl)acetamide?
2-[3-[acetyl-[(4-fluorophenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 462.46 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[acetyl-[(4-fluorophenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 53045916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).