1-(2-fluorophenyl)-8-methoxy-4-oxocinnoline-3-carboxylic acid

C16H11FN2O4 — CID 11723134

IUPAC1-(2-fluorophenyl)-8-methoxy-4-oxocinnoline-3-carboxylic acid
SMILESCOc1cccc2c(=O)c(C(=O)O)nn(-c3ccccc3F)c12
InChIInChI=1S/C16H11FN2O4/c1-23-12-8-4-5-9-14(12)19(11-7-3-2-6-10(11)17)18-13(15(9)20)16(21)22/h2-8H,1H3,(H,21,22)
InChIKeyKAZPVVIVYAIVOH-UHFFFAOYSA-N
MW314.27 g/mol
LogP2.23
Rot. Bonds3

About 1-(2-fluorophenyl)-8-methoxy-4-oxocinnoline-3-carboxylic acid

1-(2-fluorophenyl)-8-methoxy-4-oxocinnoline-3-carboxylic acid (PubChem CID 11723134) has the molecular formula C16H11FN2O4 and a molecular weight of 314.27 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-8-methoxy-4-oxocinnoline-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-fluorophenyl)-8-methoxy-4-oxocinnoline-3-carboxylic acid
PubChem CID11723134
Molecular FormulaC16H11FN2O4
Molecular Weight314.27 g/mol
Exact Mass314.07
IUPAC Name1-(2-fluorophenyl)-8-methoxy-4-oxocinnoline-3-carboxylic acid
SMILESCOc1cccc2c(=O)c(C(=O)O)nn(-c3ccccc3F)c12
InChIInChI=1S/C16H11FN2O4/c1-23-12-8-4-5-9-14(12)19(11-7-3-2-6-10(11)17)18-13(15(9)20)16(21)22/h2-8H,1H3,(H,21,22)
InChIKeyKAZPVVIVYAIVOH-UHFFFAOYSA-N
XLogP2.23
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methoxyphenyl) 1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate
CID 26688241
1-(2-fluorophenyl)-5-methoxypyrazole-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 161495954
N-[(2,3-dimethoxyphenyl)methyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 46451794
methyl 4-fluoro-1-(2-fluorophenyl)-5-methoxypyrazole-3-carboxylate
CID 67363585
1-(3-bromo-2-fluorophenyl)-5-methoxy-4-oxopyridazine-3-carboxylic acid
CID 59436190
5-methoxy-4-oxo-1-[4-(trifluoromethoxy)phenyl]cinnoline-3-carboxylic acid
CID 14678557
2-(2,4-dimethoxyphenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phthalazin-1-one
CID 22333973
5-tert-butyl-4-chloro-1-(2-methoxyphenyl)pyrazole-3-carboxylic acid
CID 63033848
methyl 4-amino-1-(2-fluorophenyl)-5-iodo-6-oxopyridazine-3-carboxylate
CID 172536146
1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxylic acid
CID 46708109
1-(4-fluorophenyl)-4-methoxy-6-oxo-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 8557178
7-fluoro-3-methoxyindazole-1-carboxylic acid
CID 150593885

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-8-methoxy-4-oxocinnoline-3-carboxylic acid?
The IUPAC name of 1-(2-fluorophenyl)-8-methoxy-4-oxocinnoline-3-carboxylic acid (CID 11723134) is 1-(2-fluorophenyl)-8-methoxy-4-oxocinnoline-3-carboxylic acid.
What is the SMILES notation for 1-(2-fluorophenyl)-8-methoxy-4-oxocinnoline-3-carboxylic acid?
The canonical SMILES for 1-(2-fluorophenyl)-8-methoxy-4-oxocinnoline-3-carboxylic acid is COc1cccc2c(=O)c(C(=O)O)nn(-c3ccccc3F)c12.
What is the InChIKey of 1-(2-fluorophenyl)-8-methoxy-4-oxocinnoline-3-carboxylic acid?
The InChIKey is KAZPVVIVYAIVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O4/c1-23-12-8-4-5-9-14(12)19(11-7-3-2-6-10(11)17)18-13(15(9)20)16(21)22/h2-8H,1H3,(H,21,22).
What are the key properties of 1-(2-fluorophenyl)-8-methoxy-4-oxocinnoline-3-carboxylic acid?
1-(2-fluorophenyl)-8-methoxy-4-oxocinnoline-3-carboxylic acid has a molecular weight of 314.27 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-8-methoxy-4-oxocinnoline-3-carboxylic acid is sourced from PubChem (CID 11723134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).