4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]butanamide

C24H24FN3O2S — CID 46272869

IUPAC4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]butanamide
SMILESCSc1ccc(CCNC(=O)CCCn2c(=O)c3cccn3c3ccc(F)cc32)cc1
InChIInChI=1S/C24H24FN3O2S/c1-31-19-9-6-17(7-10-19)12-13-26-23(29)5-3-15-28-22-16-18(25)8-11-20(22)27-14-2-4-21(27)24(28)30/h2,4,6-11,14,16H,3,5,12-13,15H2,1H3,(H,26,29)
InChIKeyFMCCXSFWKUTUEI-UHFFFAOYSA-N
MW437.54 g/mol
LogP4.25
Rot. Bonds8

About 4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]butanamide

4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]butanamide (PubChem CID 46272869) has the molecular formula C24H24FN3O2S and a molecular weight of 437.54 g/mol. Its IUPAC name is 4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]butanamide
PubChem CID46272869
Molecular FormulaC24H24FN3O2S
Molecular Weight437.54 g/mol
Exact Mass437.16
IUPAC Name4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]butanamide
SMILESCSc1ccc(CCNC(=O)CCCn2c(=O)c3cccn3c3ccc(F)cc32)cc1
InChIInChI=1S/C24H24FN3O2S/c1-31-19-9-6-17(7-10-19)12-13-26-23(29)5-3-15-28-22-16-18(25)8-11-20(22)27-14-2-4-21(27)24(28)30/h2,4,6-11,14,16H,3,5,12-13,15H2,1H3,(H,26,29)
InChIKeyFMCCXSFWKUTUEI-UHFFFAOYSA-N
XLogP4.25
TPSA55.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]butanamide with MolForge

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Related Compounds

4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[(4-methylsulfanylphenyl)methyl]butanamide
CID 46272890
N-[2-(4-ethoxyphenyl)ethyl]-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
CID 46272868
4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-propan-2-ylbutanamide
CID 46272812
2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(2-phenylethyl)acetamide
CID 22522681
N-[(2R)-butan-2-yl]-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
CID 92872070
N-(2,6-dimethylphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
CID 46272798
4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]butanamide
CID 92872084
4-(7-bromo-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(3-phenylpropyl)butanamide
CID 50757024
N-cyclohexyl-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
CID 22522775
N-(3-chloro-4-methoxyphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
CID 46272842
4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]butanamide
CID 53022941
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
CID 22522632

Frequently Asked Questions

What is the IUPAC name of 4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]butanamide?
The IUPAC name of 4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]butanamide (CID 46272869) is 4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]butanamide.
What is the SMILES notation for 4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]butanamide?
The canonical SMILES for 4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]butanamide is CSc1ccc(CCNC(=O)CCCn2c(=O)c3cccn3c3ccc(F)cc32)cc1.
What is the InChIKey of 4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]butanamide?
The InChIKey is FMCCXSFWKUTUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O2S/c1-31-19-9-6-17(7-10-19)12-13-26-23(29)5-3-15-28-22-16-18(25)8-11-20(22)27-14-2-4-21(27)24(28)30/h2,4,6-11,14,16H,3,5,12-13,15H2,1H3,(H,26,29).
What are the key properties of 4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]butanamide?
4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]butanamide has a molecular weight of 437.54 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]butanamide is sourced from PubChem (CID 46272869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).