6,8-difluoro-3,3-dimethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid

C15H13F2NO2 — CID 79864559

IUPAC6,8-difluoro-3,3-dimethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
SMILESCC1(C)CCc2c1nc1cc(F)cc(F)c1c2C(=O)O
InChIInChI=1S/C15H13F2NO2/c1-15(2)4-3-8-11(14(19)20)12-9(17)5-7(16)6-10(12)18-13(8)15/h5-6H,3-4H2,1-2H3,(H,19,20)
InChIKeyNKPGEXQLYJWTPI-UHFFFAOYSA-N
MW277.27 g/mol
LogP3.43
Rot. Bonds1

About 6,8-difluoro-3,3-dimethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid

6,8-difluoro-3,3-dimethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid (PubChem CID 79864559) has the molecular formula C15H13F2NO2 and a molecular weight of 277.27 g/mol. Its IUPAC name is 6,8-difluoro-3,3-dimethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid.

Molecular Properties

Compound Name6,8-difluoro-3,3-dimethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
PubChem CID79864559
Molecular FormulaC15H13F2NO2
Molecular Weight277.27 g/mol
Exact Mass277.09
IUPAC Name6,8-difluoro-3,3-dimethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
SMILESCC1(C)CCc2c1nc1cc(F)cc(F)c1c2C(=O)O
InChIInChI=1S/C15H13F2NO2/c1-15(2)4-3-8-11(14(19)20)12-9(17)5-7(16)6-10(12)18-13(8)15/h5-6H,3-4H2,1-2H3,(H,19,20)
InChIKeyNKPGEXQLYJWTPI-UHFFFAOYSA-N
XLogP3.43
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6,8-difluoro-3,3-dimethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic 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 6,8-difluoro-3,3-dimethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid?
The IUPAC name of 6,8-difluoro-3,3-dimethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid (CID 79864559) is 6,8-difluoro-3,3-dimethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid.
What is the SMILES notation for 6,8-difluoro-3,3-dimethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid?
The canonical SMILES for 6,8-difluoro-3,3-dimethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid is CC1(C)CCc2c1nc1cc(F)cc(F)c1c2C(=O)O.
What is the InChIKey of 6,8-difluoro-3,3-dimethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid?
The InChIKey is NKPGEXQLYJWTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO2/c1-15(2)4-3-8-11(14(19)20)12-9(17)5-7(16)6-10(12)18-13(8)15/h5-6H,3-4H2,1-2H3,(H,19,20).
What are the key properties of 6,8-difluoro-3,3-dimethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid?
6,8-difluoro-3,3-dimethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid has a molecular weight of 277.27 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-3,3-dimethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid is sourced from PubChem (CID 79864559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).