5-chloro-2-cyclopropyl-8-fluoroquinoline-4-carboxylic acid

C13H9ClFNO2 — CID 60984950

IUPAC5-chloro-2-cyclopropyl-8-fluoroquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(C2CC2)nc2c(F)ccc(Cl)c12
InChIInChI=1S/C13H9ClFNO2/c14-8-3-4-9(15)12-11(8)7(13(17)18)5-10(16-12)6-1-2-6/h3-6H,1-2H2,(H,17,18)
InChIKeyVJIGCGJJGNZWMV-UHFFFAOYSA-N
MW265.67 g/mol
LogP3.60
Rot. Bonds2

About 5-chloro-2-cyclopropyl-8-fluoroquinoline-4-carboxylic acid

5-chloro-2-cyclopropyl-8-fluoroquinoline-4-carboxylic acid (PubChem CID 60984950) has the molecular formula C13H9ClFNO2 and a molecular weight of 265.67 g/mol. Its IUPAC name is 5-chloro-2-cyclopropyl-8-fluoroquinoline-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-cyclopropyl-8-fluoroquinoline-4-carboxylic acid
PubChem CID60984950
Molecular FormulaC13H9ClFNO2
Molecular Weight265.67 g/mol
Exact Mass265.03
IUPAC Name5-chloro-2-cyclopropyl-8-fluoroquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(C2CC2)nc2c(F)ccc(Cl)c12
InChIInChI=1S/C13H9ClFNO2/c14-8-3-4-9(15)12-11(8)7(13(17)18)5-10(16-12)6-1-2-6/h3-6H,1-2H2,(H,17,18)
InChIKeyVJIGCGJJGNZWMV-UHFFFAOYSA-N
XLogP3.60
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.67
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-cyclopropyl-8-fluoroquinoline-4-carboxylic acid?
The IUPAC name of 5-chloro-2-cyclopropyl-8-fluoroquinoline-4-carboxylic acid (CID 60984950) is 5-chloro-2-cyclopropyl-8-fluoroquinoline-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-cyclopropyl-8-fluoroquinoline-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-cyclopropyl-8-fluoroquinoline-4-carboxylic acid is O=C(O)c1cc(C2CC2)nc2c(F)ccc(Cl)c12.
What is the InChIKey of 5-chloro-2-cyclopropyl-8-fluoroquinoline-4-carboxylic acid?
The InChIKey is VJIGCGJJGNZWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO2/c14-8-3-4-9(15)12-11(8)7(13(17)18)5-10(16-12)6-1-2-6/h3-6H,1-2H2,(H,17,18).
What are the key properties of 5-chloro-2-cyclopropyl-8-fluoroquinoline-4-carboxylic acid?
5-chloro-2-cyclopropyl-8-fluoroquinoline-4-carboxylic acid has a molecular weight of 265.67 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-cyclopropyl-8-fluoroquinoline-4-carboxylic acid is sourced from PubChem (CID 60984950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).