4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanoic acid

C15H13FN2O3 — CID 20888306

IUPAC4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanoic acid
SMILESO=C(O)CCCn1c(=O)c2cccn2c2ccc(F)cc21
InChIInChI=1S/C15H13FN2O3/c16-10-5-6-11-13(9-10)18(8-2-4-14(19)20)15(21)12-3-1-7-17(11)12/h1,3,5-7,9H,2,4,8H2,(H,19,20)
InChIKeyBTHWQEQGHLUTDX-UHFFFAOYSA-N
MW288.28 g/mol
LogP2.26
Rot. Bonds4

About 4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanoic acid

4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanoic acid (PubChem CID 20888306) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is 4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanoic acid.

Molecular Properties

Compound Name4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanoic acid
PubChem CID20888306
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanoic acid
SMILESO=C(O)CCCn1c(=O)c2cccn2c2ccc(F)cc21
InChIInChI=1S/C15H13FN2O3/c16-10-5-6-11-13(9-10)18(8-2-4-14(19)20)15(21)12-3-1-7-17(11)12/h1,3,5-7,9H,2,4,8H2,(H,19,20)
InChIKeyBTHWQEQGHLUTDX-UHFFFAOYSA-N
XLogP2.26
TPSA63.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanoic acid?
The IUPAC name of 4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanoic acid (CID 20888306) is 4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanoic acid.
What is the SMILES notation for 4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanoic acid?
The canonical SMILES for 4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanoic acid is O=C(O)CCCn1c(=O)c2cccn2c2ccc(F)cc21.
What is the InChIKey of 4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanoic acid?
The InChIKey is BTHWQEQGHLUTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c16-10-5-6-11-13(9-10)18(8-2-4-14(19)20)15(21)12-3-1-7-17(11)12/h1,3,5-7,9H,2,4,8H2,(H,19,20).
What are the key properties of 4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanoic acid?
4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanoic acid has a molecular weight of 288.28 g/mol, XLogP of 2.26, 4 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)butanoic acid is sourced from PubChem (CID 20888306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).