7-fluoro-3,3,5-trimethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid

C16H16FNO2 — CID 106893261

IUPAC7-fluoro-3,3,5-trimethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
SMILESCc1cc(F)cc2c(C(=O)O)c3c(nc12)C(C)(C)CC3
InChIInChI=1S/C16H16FNO2/c1-8-6-9(17)7-11-12(15(19)20)10-4-5-16(2,3)14(10)18-13(8)11/h6-7H,4-5H2,1-3H3,(H,19,20)
InChIKeyLMBIATVHMSRXFE-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.60
Rot. Bonds1

About 7-fluoro-3,3,5-trimethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid

7-fluoro-3,3,5-trimethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid (PubChem CID 106893261) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 7-fluoro-3,3,5-trimethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-3,3,5-trimethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
PubChem CID106893261
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name7-fluoro-3,3,5-trimethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
SMILESCc1cc(F)cc2c(C(=O)O)c3c(nc12)C(C)(C)CC3
InChIInChI=1S/C16H16FNO2/c1-8-6-9(17)7-11-12(15(19)20)10-4-5-16(2,3)14(10)18-13(8)11/h6-7H,4-5H2,1-3H3,(H,19,20)
InChIKeyLMBIATVHMSRXFE-UHFFFAOYSA-N
XLogP3.60
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3,3,5-trimethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid?
The IUPAC name of 7-fluoro-3,3,5-trimethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid (CID 106893261) is 7-fluoro-3,3,5-trimethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid.
What is the SMILES notation for 7-fluoro-3,3,5-trimethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid?
The canonical SMILES for 7-fluoro-3,3,5-trimethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid is Cc1cc(F)cc2c(C(=O)O)c3c(nc12)C(C)(C)CC3.
What is the InChIKey of 7-fluoro-3,3,5-trimethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid?
The InChIKey is LMBIATVHMSRXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-8-6-9(17)7-11-12(15(19)20)10-4-5-16(2,3)14(10)18-13(8)11/h6-7H,4-5H2,1-3H3,(H,19,20).
What are the key properties of 7-fluoro-3,3,5-trimethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid?
7-fluoro-3,3,5-trimethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid has a molecular weight of 273.31 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3,3,5-trimethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid is sourced from PubChem (CID 106893261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).