3-(4-fluorophenyl)cinnoline-4-carboxylic acid

C15H9FN2O2 — CID 125493041

IUPAC3-(4-fluorophenyl)cinnoline-4-carboxylic acid
SMILESO=C(O)c1c(-c2ccc(F)cc2)nnc2ccccc12
InChIInChI=1S/C15H9FN2O2/c16-10-7-5-9(6-8-10)14-13(15(19)20)11-3-1-2-4-12(11)17-18-14/h1-8H,(H,19,20)
InChIKeyPQVQIDJTCJNJGY-UHFFFAOYSA-N
MW268.25 g/mol
LogP3.13
Rot. Bonds2

About 3-(4-fluorophenyl)cinnoline-4-carboxylic acid

3-(4-fluorophenyl)cinnoline-4-carboxylic acid (PubChem CID 125493041) has the molecular formula C15H9FN2O2 and a molecular weight of 268.25 g/mol. Its IUPAC name is 3-(4-fluorophenyl)cinnoline-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)cinnoline-4-carboxylic acid
PubChem CID125493041
Molecular FormulaC15H9FN2O2
Molecular Weight268.25 g/mol
Exact Mass268.06
IUPAC Name3-(4-fluorophenyl)cinnoline-4-carboxylic acid
SMILESO=C(O)c1c(-c2ccc(F)cc2)nnc2ccccc12
InChIInChI=1S/C15H9FN2O2/c16-10-7-5-9(6-8-10)14-13(15(19)20)11-3-1-2-4-12(11)17-18-14/h1-8H,(H,19,20)
InChIKeyPQVQIDJTCJNJGY-UHFFFAOYSA-N
XLogP3.13
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)acridine-9-carboxylic acid
CID 90871706
2-phenylquinoline-3,4-dicarboxylic acid
CID 71341092
methyl 3-(4-chlorophenyl)cinnoline-4-carboxylate
CID 164575604
[[3-amino-2-(4-fluorophenyl)quinoline-4-carbonyl]-methylamino]-phenylcarbamic acid
CID 68829851
2-[2-(4-fluorophenyl)-4-methylquinolin-3-yl]acetic acid
CID 18073377
3-methyl-2-phenylquinoline-4-carboxylic acid;hydrochloride
CID 140991456
(4-ethylpiperazin-1-yl)-[3-(4-methylphenyl)cinnolin-4-yl]methanone
CID 46287905
3-ethyl-7-fluoro-2-phenylquinoline-4-carboxylic acid
CID 43823131
[3-(trifluoromethyl)phenyl] 3-phenylcinnoline-4-carboxylate
CID 2822751
2-(4-chlorophenyl)-3-(4-fluorophenoxy)quinoline-4-carboxylate
CID 7097759
3-(methylsulfonylmethyl)-2-phenylquinoline-4-carboxylic acid
CID 59799728
2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid
CID 154212021

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)cinnoline-4-carboxylic acid?
The IUPAC name of 3-(4-fluorophenyl)cinnoline-4-carboxylic acid (CID 125493041) is 3-(4-fluorophenyl)cinnoline-4-carboxylic acid.
What is the SMILES notation for 3-(4-fluorophenyl)cinnoline-4-carboxylic acid?
The canonical SMILES for 3-(4-fluorophenyl)cinnoline-4-carboxylic acid is O=C(O)c1c(-c2ccc(F)cc2)nnc2ccccc12.
What is the InChIKey of 3-(4-fluorophenyl)cinnoline-4-carboxylic acid?
The InChIKey is PQVQIDJTCJNJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN2O2/c16-10-7-5-9(6-8-10)14-13(15(19)20)11-3-1-2-4-12(11)17-18-14/h1-8H,(H,19,20).
What are the key properties of 3-(4-fluorophenyl)cinnoline-4-carboxylic acid?
3-(4-fluorophenyl)cinnoline-4-carboxylic acid has a molecular weight of 268.25 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)cinnoline-4-carboxylic acid is sourced from PubChem (CID 125493041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).