4-[(7-fluoro-4-methyl-3-oxoquinoxalin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide

C21H17FN4O2S — CID 11338774

IUPAC4-[(7-fluoro-4-methyl-3-oxoquinoxalin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide
SMILESCn1c(=O)c(Nc2ccc(C(=O)NCc3cccs3)cc2)nc2cc(F)ccc21
InChIInChI=1S/C21H17FN4O2S/c1-26-18-9-6-14(22)11-17(18)25-19(21(26)28)24-15-7-4-13(5-8-15)20(27)23-12-16-3-2-10-29-16/h2-11H,12H2,1H3,(H,23,27)(H,24,25)
InChIKeyNCQGKSDMMYTOCJ-UHFFFAOYSA-N
MW408.46 g/mol
LogP3.81
Rot. Bonds5

About 4-[(7-fluoro-4-methyl-3-oxoquinoxalin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide

4-[(7-fluoro-4-methyl-3-oxoquinoxalin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 11338774) has the molecular formula C21H17FN4O2S and a molecular weight of 408.46 g/mol. Its IUPAC name is 4-[(7-fluoro-4-methyl-3-oxoquinoxalin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(7-fluoro-4-methyl-3-oxoquinoxalin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide
PubChem CID11338774
Molecular FormulaC21H17FN4O2S
Molecular Weight408.46 g/mol
Exact Mass408.11
IUPAC Name4-[(7-fluoro-4-methyl-3-oxoquinoxalin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide
SMILESCn1c(=O)c(Nc2ccc(C(=O)NCc3cccs3)cc2)nc2cc(F)ccc21
InChIInChI=1S/C21H17FN4O2S/c1-26-18-9-6-14(22)11-17(18)25-19(21(26)28)24-15-7-4-13(5-8-15)20(27)23-12-16-3-2-10-29-16/h2-11H,12H2,1H3,(H,23,27)(H,24,25)
InChIKeyNCQGKSDMMYTOCJ-UHFFFAOYSA-N
XLogP3.81
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(7-fluoro-4-methyl-3-oxoquinoxalin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 4-[(7-fluoro-4-methyl-3-oxoquinoxalin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide (CID 11338774) is 4-[(7-fluoro-4-methyl-3-oxoquinoxalin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[(7-fluoro-4-methyl-3-oxoquinoxalin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 4-[(7-fluoro-4-methyl-3-oxoquinoxalin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide is Cn1c(=O)c(Nc2ccc(C(=O)NCc3cccs3)cc2)nc2cc(F)ccc21.
What is the InChIKey of 4-[(7-fluoro-4-methyl-3-oxoquinoxalin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is NCQGKSDMMYTOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2S/c1-26-18-9-6-14(22)11-17(18)25-19(21(26)28)24-15-7-4-13(5-8-15)20(27)23-12-16-3-2-10-29-16/h2-11H,12H2,1H3,(H,23,27)(H,24,25).
What are the key properties of 4-[(7-fluoro-4-methyl-3-oxoquinoxalin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide?
4-[(7-fluoro-4-methyl-3-oxoquinoxalin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 408.46 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-fluoro-4-methyl-3-oxoquinoxalin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 11338774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).