2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(4-methylcyclohexyl)acetamide

C20H22FN3O2 — CID 22522689

IUPAC2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)Cn2c(=O)c3cccn3c3ccc(F)cc32)CC1
InChIInChI=1S/C20H22FN3O2/c1-13-4-7-15(8-5-13)22-19(25)12-24-18-11-14(21)6-9-16(18)23-10-2-3-17(23)20(24)26/h2-3,6,9-11,13,15H,4-5,7-8,12H2,1H3,(H,22,25)
InChIKeyUIIKRWNXAOTGIG-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.09
Rot. Bonds3

About 2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(4-methylcyclohexyl)acetamide

2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(4-methylcyclohexyl)acetamide (PubChem CID 22522689) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is 2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(4-methylcyclohexyl)acetamide
PubChem CID22522689
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)Cn2c(=O)c3cccn3c3ccc(F)cc32)CC1
InChIInChI=1S/C20H22FN3O2/c1-13-4-7-15(8-5-13)22-19(25)12-24-18-11-14(21)6-9-16(18)23-10-2-3-17(23)20(24)26/h2-3,6,9-11,13,15H,4-5,7-8,12H2,1H3,(H,22,25)
InChIKeyUIIKRWNXAOTGIG-UHFFFAOYSA-N
XLogP3.09
TPSA55.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(4-methylcyclohexyl)acetamide (CID 22522689) is 2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(4-methylcyclohexyl)acetamide is CC1CCC(NC(=O)Cn2c(=O)c3cccn3c3ccc(F)cc32)CC1.
What is the InChIKey of 2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(4-methylcyclohexyl)acetamide?
The InChIKey is UIIKRWNXAOTGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-13-4-7-15(8-5-13)22-19(25)12-24-18-11-14(21)6-9-16(18)23-10-2-3-17(23)20(24)26/h2-3,6,9-11,13,15H,4-5,7-8,12H2,1H3,(H,22,25).
What are the key properties of 2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(4-methylcyclohexyl)acetamide?
2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(4-methylcyclohexyl)acetamide has a molecular weight of 355.41 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 22522689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).