7-fluoro-2-pyrrolidin-3-ylquinoline-4-carboxylic acid

C14H13FN2O2 — CID 84638041

IUPAC7-fluoro-2-pyrrolidin-3-ylquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(C2CCNC2)nc2cc(F)ccc12
InChIInChI=1S/C14H13FN2O2/c15-9-1-2-10-11(14(18)19)6-12(17-13(10)5-9)8-3-4-16-7-8/h1-2,5-6,8,16H,3-4,7H2,(H,18,19)
InChIKeyAPLFQGAUCYXJLU-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.15
Rot. Bonds2

About 7-fluoro-2-pyrrolidin-3-ylquinoline-4-carboxylic acid

7-fluoro-2-pyrrolidin-3-ylquinoline-4-carboxylic acid (PubChem CID 84638041) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 7-fluoro-2-pyrrolidin-3-ylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-2-pyrrolidin-3-ylquinoline-4-carboxylic acid
PubChem CID84638041
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name7-fluoro-2-pyrrolidin-3-ylquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(C2CCNC2)nc2cc(F)ccc12
InChIInChI=1S/C14H13FN2O2/c15-9-1-2-10-11(14(18)19)6-12(17-13(10)5-9)8-3-4-16-7-8/h1-2,5-6,8,16H,3-4,7H2,(H,18,19)
InChIKeyAPLFQGAUCYXJLU-UHFFFAOYSA-N
XLogP2.15
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-pyrrolidin-3-ylquinoline-4-carboxylic acid?
The IUPAC name of 7-fluoro-2-pyrrolidin-3-ylquinoline-4-carboxylic acid (CID 84638041) is 7-fluoro-2-pyrrolidin-3-ylquinoline-4-carboxylic acid.
What is the SMILES notation for 7-fluoro-2-pyrrolidin-3-ylquinoline-4-carboxylic acid?
The canonical SMILES for 7-fluoro-2-pyrrolidin-3-ylquinoline-4-carboxylic acid is O=C(O)c1cc(C2CCNC2)nc2cc(F)ccc12.
What is the InChIKey of 7-fluoro-2-pyrrolidin-3-ylquinoline-4-carboxylic acid?
The InChIKey is APLFQGAUCYXJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c15-9-1-2-10-11(14(18)19)6-12(17-13(10)5-9)8-3-4-16-7-8/h1-2,5-6,8,16H,3-4,7H2,(H,18,19).
What are the key properties of 7-fluoro-2-pyrrolidin-3-ylquinoline-4-carboxylic acid?
7-fluoro-2-pyrrolidin-3-ylquinoline-4-carboxylic acid has a molecular weight of 260.27 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-pyrrolidin-3-ylquinoline-4-carboxylic acid is sourced from PubChem (CID 84638041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).