7-bromo-6-fluoro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid

C13H9BrFNO2 — CID 61357932

IUPAC7-bromo-6-fluoro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid
SMILESO=C(O)c1c2c(nc3cc(F)c(Br)cc13)CCC2
InChIInChI=1S/C13H9BrFNO2/c14-8-4-7-11(5-9(8)15)16-10-3-1-2-6(10)12(7)13(17)18/h4-5H,1-3H2,(H,17,18)
InChIKeyDCKHAPYJIBCQJX-UHFFFAOYSA-N
MW310.12 g/mol
LogP3.32
Rot. Bonds1

About 7-bromo-6-fluoro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid

7-bromo-6-fluoro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid (PubChem CID 61357932) has the molecular formula C13H9BrFNO2 and a molecular weight of 310.12 g/mol. Its IUPAC name is 7-bromo-6-fluoro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid.

Molecular Properties

Compound Name7-bromo-6-fluoro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid
PubChem CID61357932
Molecular FormulaC13H9BrFNO2
Molecular Weight310.12 g/mol
Exact Mass308.98
IUPAC Name7-bromo-6-fluoro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid
SMILESO=C(O)c1c2c(nc3cc(F)c(Br)cc13)CCC2
InChIInChI=1S/C13H9BrFNO2/c14-8-4-7-11(5-9(8)15)16-10-3-1-2-6(10)12(7)13(17)18/h4-5H,1-3H2,(H,17,18)
InChIKeyDCKHAPYJIBCQJX-UHFFFAOYSA-N
XLogP3.32
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.12
LogP ≤ 53.32
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-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid?
The IUPAC name of 7-bromo-6-fluoro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid (CID 61357932) is 7-bromo-6-fluoro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid.
What is the SMILES notation for 7-bromo-6-fluoro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid?
The canonical SMILES for 7-bromo-6-fluoro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid is O=C(O)c1c2c(nc3cc(F)c(Br)cc13)CCC2.
What is the InChIKey of 7-bromo-6-fluoro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid?
The InChIKey is DCKHAPYJIBCQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFNO2/c14-8-4-7-11(5-9(8)15)16-10-3-1-2-6(10)12(7)13(17)18/h4-5H,1-3H2,(H,17,18).
What are the key properties of 7-bromo-6-fluoro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid?
7-bromo-6-fluoro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid has a molecular weight of 310.12 g/mol, XLogP of 3.32, 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-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid is sourced from PubChem (CID 61357932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).