7-fluoro-5-[4-(6-methyl-3-pyridinyl)-3-oxobutyl]pyrrolo[1,2-a]quinoxalin-4-one

C21H18FN3O2 — CID 163944623

IUPAC7-fluoro-5-[4-(6-methyl-3-pyridinyl)-3-oxobutyl]pyrrolo[1,2-a]quinoxalin-4-one
SMILESCc1ccc(CC(=O)CCn2c(=O)c3cccn3c3ccc(F)cc32)cn1
InChIInChI=1S/C21H18FN3O2/c1-14-4-5-15(13-23-14)11-17(26)8-10-25-20-12-16(22)6-7-18(20)24-9-2-3-19(24)21(25)27/h2-7,9,12-13H,8,10-11H2,1H3
InChIKeyRUADIVGHACUWDO-UHFFFAOYSA-N
MW363.39 g/mol
LogP3.30
Rot. Bonds5

About 7-fluoro-5-[4-(6-methyl-3-pyridinyl)-3-oxobutyl]pyrrolo[1,2-a]quinoxalin-4-one

7-fluoro-5-[4-(6-methyl-3-pyridinyl)-3-oxobutyl]pyrrolo[1,2-a]quinoxalin-4-one (PubChem CID 163944623) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is 7-fluoro-5-[4-(6-methyl-3-pyridinyl)-3-oxobutyl]pyrrolo[1,2-a]quinoxalin-4-one.

Molecular Properties

Compound Name7-fluoro-5-[4-(6-methyl-3-pyridinyl)-3-oxobutyl]pyrrolo[1,2-a]quinoxalin-4-one
PubChem CID163944623
Molecular FormulaC21H18FN3O2
Molecular Weight363.39 g/mol
Exact Mass363.14
IUPAC Name7-fluoro-5-[4-(6-methyl-3-pyridinyl)-3-oxobutyl]pyrrolo[1,2-a]quinoxalin-4-one
SMILESCc1ccc(CC(=O)CCn2c(=O)c3cccn3c3ccc(F)cc32)cn1
InChIInChI=1S/C21H18FN3O2/c1-14-4-5-15(13-23-14)11-17(26)8-10-25-20-12-16(22)6-7-18(20)24-9-2-3-19(24)21(25)27/h2-7,9,12-13H,8,10-11H2,1H3
InChIKeyRUADIVGHACUWDO-UHFFFAOYSA-N
XLogP3.30
TPSA56.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-fluoro-5-[4-(6-methyl-3-pyridinyl)-3-oxobutyl]pyrrolo[1,2-a]quinoxalin-4-one 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 7-fluoro-5-[4-(6-methyl-3-pyridinyl)-3-oxobutyl]pyrrolo[1,2-a]quinoxalin-4-one?
The IUPAC name of 7-fluoro-5-[4-(6-methyl-3-pyridinyl)-3-oxobutyl]pyrrolo[1,2-a]quinoxalin-4-one (CID 163944623) is 7-fluoro-5-[4-(6-methyl-3-pyridinyl)-3-oxobutyl]pyrrolo[1,2-a]quinoxalin-4-one.
What is the SMILES notation for 7-fluoro-5-[4-(6-methyl-3-pyridinyl)-3-oxobutyl]pyrrolo[1,2-a]quinoxalin-4-one?
The canonical SMILES for 7-fluoro-5-[4-(6-methyl-3-pyridinyl)-3-oxobutyl]pyrrolo[1,2-a]quinoxalin-4-one is Cc1ccc(CC(=O)CCn2c(=O)c3cccn3c3ccc(F)cc32)cn1.
What is the InChIKey of 7-fluoro-5-[4-(6-methyl-3-pyridinyl)-3-oxobutyl]pyrrolo[1,2-a]quinoxalin-4-one?
The InChIKey is RUADIVGHACUWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2/c1-14-4-5-15(13-23-14)11-17(26)8-10-25-20-12-16(22)6-7-18(20)24-9-2-3-19(24)21(25)27/h2-7,9,12-13H,8,10-11H2,1H3.
What are the key properties of 7-fluoro-5-[4-(6-methyl-3-pyridinyl)-3-oxobutyl]pyrrolo[1,2-a]quinoxalin-4-one?
7-fluoro-5-[4-(6-methyl-3-pyridinyl)-3-oxobutyl]pyrrolo[1,2-a]quinoxalin-4-one has a molecular weight of 363.39 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-[4-(6-methyl-3-pyridinyl)-3-oxobutyl]pyrrolo[1,2-a]quinoxalin-4-one is sourced from PubChem (CID 163944623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).