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

C18H20FN3O2 — CID 46272812

IUPAC4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)CCCn1c(=O)c2cccn2c2ccc(F)cc21
InChIInChI=1S/C18H20FN3O2/c1-12(2)20-17(23)6-4-10-22-16-11-13(19)7-8-14(16)21-9-3-5-15(21)18(22)24/h3,5,7-9,11-12H,4,6,10H2,1-2H3,(H,20,23)
InChIKeyOIYFOQGJUROIMV-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.70
Rot. Bonds5

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

4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-propan-2-ylbutanamide (PubChem CID 46272812) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-propan-2-ylbutanamide
PubChem CID46272812
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)CCCn1c(=O)c2cccn2c2ccc(F)cc21
InChIInChI=1S/C18H20FN3O2/c1-12(2)20-17(23)6-4-10-22-16-11-13(19)7-8-14(16)21-9-3-5-15(21)18(22)24/h3,5,7-9,11-12H,4,6,10H2,1-2H3,(H,20,23)
InChIKeyOIYFOQGJUROIMV-UHFFFAOYSA-N
XLogP2.70
TPSA55.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-propan-2-ylbutanamide?
The IUPAC name of 4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-propan-2-ylbutanamide (CID 46272812) is 4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-propan-2-ylbutanamide.
What is the SMILES notation for 4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-propan-2-ylbutanamide?
The canonical SMILES for 4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-propan-2-ylbutanamide is CC(C)NC(=O)CCCn1c(=O)c2cccn2c2ccc(F)cc21.
What is the InChIKey of 4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-propan-2-ylbutanamide?
The InChIKey is OIYFOQGJUROIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-12(2)20-17(23)6-4-10-22-16-11-13(19)7-8-14(16)21-9-3-5-15(21)18(22)24/h3,5,7-9,11-12H,4,6,10H2,1-2H3,(H,20,23).
What are the key properties of 4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-propan-2-ylbutanamide?
4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-propan-2-ylbutanamide has a molecular weight of 329.38 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-propan-2-ylbutanamide is sourced from PubChem (CID 46272812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).