5-chloro-2-cyclopropyl-4-(2-fluorophenyl)quinoline-3-carboxylic acid

C19H13ClFNO2 — CID 123864181

IUPAC5-chloro-2-cyclopropyl-4-(2-fluorophenyl)quinoline-3-carboxylic acid
SMILESO=C(O)c1c(C2CC2)nc2cccc(Cl)c2c1-c1ccccc1F
InChIInChI=1S/C19H13ClFNO2/c20-12-5-3-7-14-16(12)15(11-4-1-2-6-13(11)21)17(19(23)24)18(22-14)10-8-9-10/h1-7,10H,8-9H2,(H,23,24)
InChIKeyKZJYOHXAYCYLDF-UHFFFAOYSA-N
MW341.77 g/mol
LogP5.27
Rot. Bonds3

About 5-chloro-2-cyclopropyl-4-(2-fluorophenyl)quinoline-3-carboxylic acid

5-chloro-2-cyclopropyl-4-(2-fluorophenyl)quinoline-3-carboxylic acid (PubChem CID 123864181) has the molecular formula C19H13ClFNO2 and a molecular weight of 341.77 g/mol. Its IUPAC name is 5-chloro-2-cyclopropyl-4-(2-fluorophenyl)quinoline-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-cyclopropyl-4-(2-fluorophenyl)quinoline-3-carboxylic acid
PubChem CID123864181
Molecular FormulaC19H13ClFNO2
Molecular Weight341.77 g/mol
Exact Mass341.06
IUPAC Name5-chloro-2-cyclopropyl-4-(2-fluorophenyl)quinoline-3-carboxylic acid
SMILESO=C(O)c1c(C2CC2)nc2cccc(Cl)c2c1-c1ccccc1F
InChIInChI=1S/C19H13ClFNO2/c20-12-5-3-7-14-16(12)15(11-4-1-2-6-13(11)21)17(19(23)24)18(22-14)10-8-9-10/h1-7,10H,8-9H2,(H,23,24)
InChIKeyKZJYOHXAYCYLDF-UHFFFAOYSA-N
XLogP5.27
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.77
LogP ≤ 55.27
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-4-(2-fluorophenyl)quinoline-3-carboxylic acid?
The IUPAC name of 5-chloro-2-cyclopropyl-4-(2-fluorophenyl)quinoline-3-carboxylic acid (CID 123864181) is 5-chloro-2-cyclopropyl-4-(2-fluorophenyl)quinoline-3-carboxylic acid.
What is the SMILES notation for 5-chloro-2-cyclopropyl-4-(2-fluorophenyl)quinoline-3-carboxylic acid?
The canonical SMILES for 5-chloro-2-cyclopropyl-4-(2-fluorophenyl)quinoline-3-carboxylic acid is O=C(O)c1c(C2CC2)nc2cccc(Cl)c2c1-c1ccccc1F.
What is the InChIKey of 5-chloro-2-cyclopropyl-4-(2-fluorophenyl)quinoline-3-carboxylic acid?
The InChIKey is KZJYOHXAYCYLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFNO2/c20-12-5-3-7-14-16(12)15(11-4-1-2-6-13(11)21)17(19(23)24)18(22-14)10-8-9-10/h1-7,10H,8-9H2,(H,23,24).
What are the key properties of 5-chloro-2-cyclopropyl-4-(2-fluorophenyl)quinoline-3-carboxylic acid?
5-chloro-2-cyclopropyl-4-(2-fluorophenyl)quinoline-3-carboxylic acid has a molecular weight of 341.77 g/mol, XLogP of 5.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-cyclopropyl-4-(2-fluorophenyl)quinoline-3-carboxylic acid is sourced from PubChem (CID 123864181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).