2-amino-3-(2-fluorophenyl)quinoline-7-carboxylic acid

C16H11FN2O2 — CID 122688052

IUPAC2-amino-3-(2-fluorophenyl)quinoline-7-carboxylic acid
SMILESNc1nc2cc(C(=O)O)ccc2cc1-c1ccccc1F
InChIInChI=1S/C16H11FN2O2/c17-13-4-2-1-3-11(13)12-7-9-5-6-10(16(20)21)8-14(9)19-15(12)18/h1-8H,(H2,18,19)(H,20,21)
InChIKeyPWGXIEPPQOPZKR-UHFFFAOYSA-N
MW282.27 g/mol
LogP3.32
Rot. Bonds2

About 2-amino-3-(2-fluorophenyl)quinoline-7-carboxylic acid

2-amino-3-(2-fluorophenyl)quinoline-7-carboxylic acid (PubChem CID 122688052) has the molecular formula C16H11FN2O2 and a molecular weight of 282.27 g/mol. Its IUPAC name is 2-amino-3-(2-fluorophenyl)quinoline-7-carboxylic acid.

Molecular Properties

Compound Name2-amino-3-(2-fluorophenyl)quinoline-7-carboxylic acid
PubChem CID122688052
Molecular FormulaC16H11FN2O2
Molecular Weight282.27 g/mol
Exact Mass282.08
IUPAC Name2-amino-3-(2-fluorophenyl)quinoline-7-carboxylic acid
SMILESNc1nc2cc(C(=O)O)ccc2cc1-c1ccccc1F
InChIInChI=1S/C16H11FN2O2/c17-13-4-2-1-3-11(13)12-7-9-5-6-10(16(20)21)8-14(9)19-15(12)18/h1-8H,(H2,18,19)(H,20,21)
InChIKeyPWGXIEPPQOPZKR-UHFFFAOYSA-N
XLogP3.32
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-fluorophenyl)quinoline-7-carboxylic acid?
The IUPAC name of 2-amino-3-(2-fluorophenyl)quinoline-7-carboxylic acid (CID 122688052) is 2-amino-3-(2-fluorophenyl)quinoline-7-carboxylic acid.
What is the SMILES notation for 2-amino-3-(2-fluorophenyl)quinoline-7-carboxylic acid?
The canonical SMILES for 2-amino-3-(2-fluorophenyl)quinoline-7-carboxylic acid is Nc1nc2cc(C(=O)O)ccc2cc1-c1ccccc1F.
What is the InChIKey of 2-amino-3-(2-fluorophenyl)quinoline-7-carboxylic acid?
The InChIKey is PWGXIEPPQOPZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O2/c17-13-4-2-1-3-11(13)12-7-9-5-6-10(16(20)21)8-14(9)19-15(12)18/h1-8H,(H2,18,19)(H,20,21).
What are the key properties of 2-amino-3-(2-fluorophenyl)quinoline-7-carboxylic acid?
2-amino-3-(2-fluorophenyl)quinoline-7-carboxylic acid has a molecular weight of 282.27 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-fluorophenyl)quinoline-7-carboxylic acid is sourced from PubChem (CID 122688052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).