2-cyclohexyl-8-fluoroquinoline-4-carboxylic acid

C16H16FNO2 — CID 3872421

IUPAC2-cyclohexyl-8-fluoroquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(C2CCCCC2)nc2c(F)cccc12
InChIInChI=1S/C16H16FNO2/c17-13-8-4-7-11-12(16(19)20)9-14(18-15(11)13)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2,(H,19,20)
InChIKeyIYCCDCRWYLYZCE-UHFFFAOYSA-N
MW273.31 g/mol
LogP4.12
Rot. Bonds2

About 2-cyclohexyl-8-fluoroquinoline-4-carboxylic acid

2-cyclohexyl-8-fluoroquinoline-4-carboxylic acid (PubChem CID 3872421) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-cyclohexyl-8-fluoroquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclohexyl-8-fluoroquinoline-4-carboxylic acid
PubChem CID3872421
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name2-cyclohexyl-8-fluoroquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(C2CCCCC2)nc2c(F)cccc12
InChIInChI=1S/C16H16FNO2/c17-13-8-4-7-11-12(16(19)20)9-14(18-15(11)13)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2,(H,19,20)
InChIKeyIYCCDCRWYLYZCE-UHFFFAOYSA-N
XLogP4.12
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-8-fluoroquinoline-4-carboxylic acid?
The IUPAC name of 2-cyclohexyl-8-fluoroquinoline-4-carboxylic acid (CID 3872421) is 2-cyclohexyl-8-fluoroquinoline-4-carboxylic acid.
What is the SMILES notation for 2-cyclohexyl-8-fluoroquinoline-4-carboxylic acid?
The canonical SMILES for 2-cyclohexyl-8-fluoroquinoline-4-carboxylic acid is O=C(O)c1cc(C2CCCCC2)nc2c(F)cccc12.
What is the InChIKey of 2-cyclohexyl-8-fluoroquinoline-4-carboxylic acid?
The InChIKey is IYCCDCRWYLYZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c17-13-8-4-7-11-12(16(19)20)9-14(18-15(11)13)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2,(H,19,20).
What are the key properties of 2-cyclohexyl-8-fluoroquinoline-4-carboxylic acid?
2-cyclohexyl-8-fluoroquinoline-4-carboxylic acid has a molecular weight of 273.31 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-8-fluoroquinoline-4-carboxylic acid is sourced from PubChem (CID 3872421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).