7-bromo-6-fluoro-1,1,3-trimethyl-2,3-dihydrocyclopenta[b]quinoline-9-carboxylic acid

C16H15BrFNO2 — CID 106662896

IUPAC7-bromo-6-fluoro-1,1,3-trimethyl-2,3-dihydrocyclopenta[b]quinoline-9-carboxylic acid
SMILESCC1CC(C)(C)c2c1nc1cc(F)c(Br)cc1c2C(=O)O
InChIInChI=1S/C16H15BrFNO2/c1-7-6-16(2,3)13-12(15(20)21)8-4-9(17)10(18)5-11(8)19-14(7)13/h4-5,7H,6H2,1-3H3,(H,20,21)
InChIKeyYXBCZVPHYXGHSG-UHFFFAOYSA-N
MW352.20 g/mol
LogP4.62
Rot. Bonds1

About 7-bromo-6-fluoro-1,1,3-trimethyl-2,3-dihydrocyclopenta[b]quinoline-9-carboxylic acid

7-bromo-6-fluoro-1,1,3-trimethyl-2,3-dihydrocyclopenta[b]quinoline-9-carboxylic acid (PubChem CID 106662896) has the molecular formula C16H15BrFNO2 and a molecular weight of 352.20 g/mol. Its IUPAC name is 7-bromo-6-fluoro-1,1,3-trimethyl-2,3-dihydrocyclopenta[b]quinoline-9-carboxylic acid.

Molecular Properties

Compound Name7-bromo-6-fluoro-1,1,3-trimethyl-2,3-dihydrocyclopenta[b]quinoline-9-carboxylic acid
PubChem CID106662896
Molecular FormulaC16H15BrFNO2
Molecular Weight352.20 g/mol
Exact Mass351.03
IUPAC Name7-bromo-6-fluoro-1,1,3-trimethyl-2,3-dihydrocyclopenta[b]quinoline-9-carboxylic acid
SMILESCC1CC(C)(C)c2c1nc1cc(F)c(Br)cc1c2C(=O)O
InChIInChI=1S/C16H15BrFNO2/c1-7-6-16(2,3)13-12(15(20)21)8-4-9(17)10(18)5-11(8)19-14(7)13/h4-5,7H,6H2,1-3H3,(H,20,21)
InChIKeyYXBCZVPHYXGHSG-UHFFFAOYSA-N
XLogP4.62
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.20
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-fluoro-1,1,3-trimethyl-2,3-dihydrocyclopenta[b]quinoline-9-carboxylic acid?
The IUPAC name of 7-bromo-6-fluoro-1,1,3-trimethyl-2,3-dihydrocyclopenta[b]quinoline-9-carboxylic acid (CID 106662896) is 7-bromo-6-fluoro-1,1,3-trimethyl-2,3-dihydrocyclopenta[b]quinoline-9-carboxylic acid.
What is the SMILES notation for 7-bromo-6-fluoro-1,1,3-trimethyl-2,3-dihydrocyclopenta[b]quinoline-9-carboxylic acid?
The canonical SMILES for 7-bromo-6-fluoro-1,1,3-trimethyl-2,3-dihydrocyclopenta[b]quinoline-9-carboxylic acid is CC1CC(C)(C)c2c1nc1cc(F)c(Br)cc1c2C(=O)O.
What is the InChIKey of 7-bromo-6-fluoro-1,1,3-trimethyl-2,3-dihydrocyclopenta[b]quinoline-9-carboxylic acid?
The InChIKey is YXBCZVPHYXGHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO2/c1-7-6-16(2,3)13-12(15(20)21)8-4-9(17)10(18)5-11(8)19-14(7)13/h4-5,7H,6H2,1-3H3,(H,20,21).
What are the key properties of 7-bromo-6-fluoro-1,1,3-trimethyl-2,3-dihydrocyclopenta[b]quinoline-9-carboxylic acid?
7-bromo-6-fluoro-1,1,3-trimethyl-2,3-dihydrocyclopenta[b]quinoline-9-carboxylic acid has a molecular weight of 352.20 g/mol, XLogP of 4.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-fluoro-1,1,3-trimethyl-2,3-dihydrocyclopenta[b]quinoline-9-carboxylic acid is sourced from PubChem (CID 106662896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).