1-naphthalen-1-yl-4-oxoquinoline-3-carboxylic acid

C20H13NO3 — CID 174428964

IUPAC1-naphthalen-1-yl-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(-c2cccc3ccccc23)c2ccccc2c1=O
InChIInChI=1S/C20H13NO3/c22-19-15-9-3-4-10-18(15)21(12-16(19)20(23)24)17-11-5-7-13-6-1-2-8-14(13)17/h1-12H,(H,23,24)
InChIKeyOFZKJIUFMFOJTB-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.84
Rot. Bonds2

About 1-naphthalen-1-yl-4-oxoquinoline-3-carboxylic acid

1-naphthalen-1-yl-4-oxoquinoline-3-carboxylic acid (PubChem CID 174428964) has the molecular formula C20H13NO3 and a molecular weight of 315.33 g/mol. Its IUPAC name is 1-naphthalen-1-yl-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-naphthalen-1-yl-4-oxoquinoline-3-carboxylic acid
PubChem CID174428964
Molecular FormulaC20H13NO3
Molecular Weight315.33 g/mol
Exact Mass315.09
IUPAC Name1-naphthalen-1-yl-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(-c2cccc3ccccc23)c2ccccc2c1=O
InChIInChI=1S/C20H13NO3/c22-19-15-9-3-4-10-18(15)21(12-16(19)20(23)24)17-11-5-7-13-6-1-2-8-14(13)17/h1-12H,(H,23,24)
InChIKeyOFZKJIUFMFOJTB-UHFFFAOYSA-N
XLogP3.84
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6-fluoro-1-naphthalen-1-yl-4-oxoquinoline-3-carboxylic acid
CID 10718198
1-hydroxy-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 141163916
4-oxo-1-quinolin-8-yl-1,8-naphthyridine-3-carboxylic acid
CID 70010982
1-(fluoromethoxy)-4-oxoquinoline-3-carboxylic acid
CID 91240711
naphthalen-1-yl-(1-phenylindol-3-yl)methanone
CID 175269480
1-ethyl-6-fluoro-7-(4-naphthalen-1-ylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 142486682
4-oxo-1-(3,3,3-trifluoropropyl)quinoline-3-carboxylic acid
CID 64566721
1-(3-hydroxy-3-methylbutyl)-4-oxoquinoline-3-carboxylic acid
CID 79354862
4-methyl-1-oxobenzo[f]quinoline-2-carboxylic acid
CID 154144865
1-[2-(4-fluorophenyl)ethyl]-4-oxoquinoline-3-carboxylic acid
CID 171745595
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804
CID 159665167
CID 159665167

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-naphthalen-1-yl-4-oxoquinoline-3-carboxylic acid (CID 174428964) is 1-naphthalen-1-yl-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-naphthalen-1-yl-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-naphthalen-1-yl-4-oxoquinoline-3-carboxylic acid is O=C(O)c1cn(-c2cccc3ccccc23)c2ccccc2c1=O.
What is the InChIKey of 1-naphthalen-1-yl-4-oxoquinoline-3-carboxylic acid?
The InChIKey is OFZKJIUFMFOJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO3/c22-19-15-9-3-4-10-18(15)21(12-16(19)20(23)24)17-11-5-7-13-6-1-2-8-14(13)17/h1-12H,(H,23,24).
What are the key properties of 1-naphthalen-1-yl-4-oxoquinoline-3-carboxylic acid?
1-naphthalen-1-yl-4-oxoquinoline-3-carboxylic acid has a molecular weight of 315.33 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 174428964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).