6-fluoro-2-naphthalen-2-ylquinoline-4-carboxylic acid

C20H12FNO2 — CID 5297754

IUPAC6-fluoro-2-naphthalen-2-ylquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc3ccccc3c2)nc2ccc(F)cc12
InChIInChI=1S/C20H12FNO2/c21-15-7-8-18-16(10-15)17(20(23)24)11-19(22-18)14-6-5-12-3-1-2-4-13(12)9-14/h1-11H,(H,23,24)
InChIKeyCJTYNZYMWBXUBF-UHFFFAOYSA-N
MW317.32 g/mol
LogP4.89
Rot. Bonds2

About 6-fluoro-2-naphthalen-2-ylquinoline-4-carboxylic acid

6-fluoro-2-naphthalen-2-ylquinoline-4-carboxylic acid (PubChem CID 5297754) has the molecular formula C20H12FNO2 and a molecular weight of 317.32 g/mol. Its IUPAC name is 6-fluoro-2-naphthalen-2-ylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-2-naphthalen-2-ylquinoline-4-carboxylic acid
PubChem CID5297754
Molecular FormulaC20H12FNO2
Molecular Weight317.32 g/mol
Exact Mass317.09
IUPAC Name6-fluoro-2-naphthalen-2-ylquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc3ccccc3c2)nc2ccc(F)cc12
InChIInChI=1S/C20H12FNO2/c21-15-7-8-18-16(10-15)17(20(23)24)11-19(22-18)14-6-5-12-3-1-2-4-13(12)9-14/h1-11H,(H,23,24)
InChIKeyCJTYNZYMWBXUBF-UHFFFAOYSA-N
XLogP4.89
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cinchophen
CID 8593
Brequinar
CID 57030
Bicinchoninic acid
CID 71068
Neocinchophen
CID 68089
Tetrophan
CID 120171
2,6-Diphenylisonicotinic acid
CID 3490694
Mefloquine carboxylic acid
CID 169721
Brequinar Analog
CID 1543
2-(4-Bromophenyl)quinoline-4-carboxylic acid
CID 230595
3-Methyl-2-phenylquinoline-4-carboxylic acid
CID 673710
6-Methyl-2-phenylquinoline-4-carboxylic acid
CID 698707
2-([1,1'-Biphenyl]-4-yl)quinoline-4-carboxylic Acid
CID 2063288

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-naphthalen-2-ylquinoline-4-carboxylic acid?
The IUPAC name of 6-fluoro-2-naphthalen-2-ylquinoline-4-carboxylic acid (CID 5297754) is 6-fluoro-2-naphthalen-2-ylquinoline-4-carboxylic acid.
What is the SMILES notation for 6-fluoro-2-naphthalen-2-ylquinoline-4-carboxylic acid?
The canonical SMILES for 6-fluoro-2-naphthalen-2-ylquinoline-4-carboxylic acid is O=C(O)c1cc(-c2ccc3ccccc3c2)nc2ccc(F)cc12.
What is the InChIKey of 6-fluoro-2-naphthalen-2-ylquinoline-4-carboxylic acid?
The InChIKey is CJTYNZYMWBXUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12FNO2/c21-15-7-8-18-16(10-15)17(20(23)24)11-19(22-18)14-6-5-12-3-1-2-4-13(12)9-14/h1-11H,(H,23,24).
What are the key properties of 6-fluoro-2-naphthalen-2-ylquinoline-4-carboxylic acid?
6-fluoro-2-naphthalen-2-ylquinoline-4-carboxylic acid has a molecular weight of 317.32 g/mol, XLogP of 4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-naphthalen-2-ylquinoline-4-carboxylic acid is sourced from PubChem (CID 5297754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).