3-fluoro-5-methyl-11-oxo-6,6a-dihydro-5H-isoindolo[2,1-a]quinoline-10-carboxylic acid

C18H14FNO3 — CID 2911723

IUPAC3-fluoro-5-methyl-11-oxo-6,6a-dihydro-5H-isoindolo[2,1-a]quinoline-10-carboxylic acid
SMILESCC1CC2c3cccc(C(=O)O)c3C(=O)N2c2ccc(F)cc21
InChIInChI=1S/C18H14FNO3/c1-9-7-15-11-3-2-4-12(18(22)23)16(11)17(21)20(15)14-6-5-10(19)8-13(9)14/h2-6,8-9,15H,7H2,1H3,(H,22,23)
InChIKeyBRWSLDOWDJZBNC-UHFFFAOYSA-N
MW311.31 g/mol
LogP3.73
Rot. Bonds1

About 3-fluoro-5-methyl-11-oxo-6,6a-dihydro-5H-isoindolo[2,1-a]quinoline-10-carboxylic acid

3-fluoro-5-methyl-11-oxo-6,6a-dihydro-5H-isoindolo[2,1-a]quinoline-10-carboxylic acid (PubChem CID 2911723) has the molecular formula C18H14FNO3 and a molecular weight of 311.31 g/mol. Its IUPAC name is 3-fluoro-5-methyl-11-oxo-6,6a-dihydro-5H-isoindolo[2,1-a]quinoline-10-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-5-methyl-11-oxo-6,6a-dihydro-5H-isoindolo[2,1-a]quinoline-10-carboxylic acid
PubChem CID2911723
Molecular FormulaC18H14FNO3
Molecular Weight311.31 g/mol
Exact Mass311.10
IUPAC Name3-fluoro-5-methyl-11-oxo-6,6a-dihydro-5H-isoindolo[2,1-a]quinoline-10-carboxylic acid
SMILESCC1CC2c3cccc(C(=O)O)c3C(=O)N2c2ccc(F)cc21
InChIInChI=1S/C18H14FNO3/c1-9-7-15-11-3-2-4-12(18(22)23)16(11)17(21)20(15)14-6-5-10(19)8-13(9)14/h2-6,8-9,15H,7H2,1H3,(H,22,23)
InChIKeyBRWSLDOWDJZBNC-UHFFFAOYSA-N
XLogP3.73
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methyl-11-oxo-6,6a-dihydro-5H-isoindolo[2,1-a]quinoline-10-carboxylic acid?
The IUPAC name of 3-fluoro-5-methyl-11-oxo-6,6a-dihydro-5H-isoindolo[2,1-a]quinoline-10-carboxylic acid (CID 2911723) is 3-fluoro-5-methyl-11-oxo-6,6a-dihydro-5H-isoindolo[2,1-a]quinoline-10-carboxylic acid.
What is the SMILES notation for 3-fluoro-5-methyl-11-oxo-6,6a-dihydro-5H-isoindolo[2,1-a]quinoline-10-carboxylic acid?
The canonical SMILES for 3-fluoro-5-methyl-11-oxo-6,6a-dihydro-5H-isoindolo[2,1-a]quinoline-10-carboxylic acid is CC1CC2c3cccc(C(=O)O)c3C(=O)N2c2ccc(F)cc21.
What is the InChIKey of 3-fluoro-5-methyl-11-oxo-6,6a-dihydro-5H-isoindolo[2,1-a]quinoline-10-carboxylic acid?
The InChIKey is BRWSLDOWDJZBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO3/c1-9-7-15-11-3-2-4-12(18(22)23)16(11)17(21)20(15)14-6-5-10(19)8-13(9)14/h2-6,8-9,15H,7H2,1H3,(H,22,23).
What are the key properties of 3-fluoro-5-methyl-11-oxo-6,6a-dihydro-5H-isoindolo[2,1-a]quinoline-10-carboxylic acid?
3-fluoro-5-methyl-11-oxo-6,6a-dihydro-5H-isoindolo[2,1-a]quinoline-10-carboxylic acid has a molecular weight of 311.31 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methyl-11-oxo-6,6a-dihydro-5H-isoindolo[2,1-a]quinoline-10-carboxylic acid is sourced from PubChem (CID 2911723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).