2-(4-cyanophenyl)-7-fluoroquinoline-4-carboxylic acid

C17H9FN2O2 — CID 16789242

IUPAC2-(4-cyanophenyl)-7-fluoroquinoline-4-carboxylic acid
SMILESN#Cc1ccc(-c2cc(C(=O)O)c3ccc(F)cc3n2)cc1
InChIInChI=1S/C17H9FN2O2/c18-12-5-6-13-14(17(21)22)8-15(20-16(13)7-12)11-3-1-10(9-19)2-4-11/h1-8H,(H,21,22)
InChIKeyBQSHTPGYJNKDBP-UHFFFAOYSA-N
MW292.27 g/mol
LogP3.61
Rot. Bonds2

About 2-(4-cyanophenyl)-7-fluoroquinoline-4-carboxylic acid

2-(4-cyanophenyl)-7-fluoroquinoline-4-carboxylic acid (PubChem CID 16789242) has the molecular formula C17H9FN2O2 and a molecular weight of 292.27 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-7-fluoroquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-cyanophenyl)-7-fluoroquinoline-4-carboxylic acid
PubChem CID16789242
Molecular FormulaC17H9FN2O2
Molecular Weight292.27 g/mol
Exact Mass292.06
IUPAC Name2-(4-cyanophenyl)-7-fluoroquinoline-4-carboxylic acid
SMILESN#Cc1ccc(-c2cc(C(=O)O)c3ccc(F)cc3n2)cc1
InChIInChI=1S/C17H9FN2O2/c18-12-5-6-13-14(17(21)22)8-15(20-16(13)7-12)11-3-1-10(9-19)2-4-11/h1-8H,(H,21,22)
InChIKeyBQSHTPGYJNKDBP-UHFFFAOYSA-N
XLogP3.61
TPSA73.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-7-fluoroquinoline-4-carboxylic acid?
The IUPAC name of 2-(4-cyanophenyl)-7-fluoroquinoline-4-carboxylic acid (CID 16789242) is 2-(4-cyanophenyl)-7-fluoroquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(4-cyanophenyl)-7-fluoroquinoline-4-carboxylic acid?
The canonical SMILES for 2-(4-cyanophenyl)-7-fluoroquinoline-4-carboxylic acid is N#Cc1ccc(-c2cc(C(=O)O)c3ccc(F)cc3n2)cc1.
What is the InChIKey of 2-(4-cyanophenyl)-7-fluoroquinoline-4-carboxylic acid?
The InChIKey is BQSHTPGYJNKDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9FN2O2/c18-12-5-6-13-14(17(21)22)8-15(20-16(13)7-12)11-3-1-10(9-19)2-4-11/h1-8H,(H,21,22).
What are the key properties of 2-(4-cyanophenyl)-7-fluoroquinoline-4-carboxylic acid?
2-(4-cyanophenyl)-7-fluoroquinoline-4-carboxylic acid has a molecular weight of 292.27 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-7-fluoroquinoline-4-carboxylic acid is sourced from PubChem (CID 16789242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).