4-oxo-1-(3-pyridin-3-ylsulfanylphenyl)-1,8-naphthyridine-3-carboxylic acid

C20H13N3O3S — CID 141328052

IUPAC4-oxo-1-(3-pyridin-3-ylsulfanylphenyl)-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cn(-c2cccc(Sc3cccnc3)c2)c2ncccc2c1=O
InChIInChI=1S/C20H13N3O3S/c24-18-16-7-3-9-22-19(16)23(12-17(18)20(25)26)13-4-1-5-14(10-13)27-15-6-2-8-21-11-15/h1-12H,(H,25,26)
InChIKeyZXYGQOWOYREQCO-UHFFFAOYSA-N
MW375.41 g/mol
LogP3.63
Rot. Bonds4

About 4-oxo-1-(3-pyridin-3-ylsulfanylphenyl)-1,8-naphthyridine-3-carboxylic acid

4-oxo-1-(3-pyridin-3-ylsulfanylphenyl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 141328052) has the molecular formula C20H13N3O3S and a molecular weight of 375.41 g/mol. Its IUPAC name is 4-oxo-1-(3-pyridin-3-ylsulfanylphenyl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-oxo-1-(3-pyridin-3-ylsulfanylphenyl)-1,8-naphthyridine-3-carboxylic acid
PubChem CID141328052
Molecular FormulaC20H13N3O3S
Molecular Weight375.41 g/mol
Exact Mass375.07
IUPAC Name4-oxo-1-(3-pyridin-3-ylsulfanylphenyl)-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cn(-c2cccc(Sc3cccnc3)c2)c2ncccc2c1=O
InChIInChI=1S/C20H13N3O3S/c24-18-16-7-3-9-22-19(16)23(12-17(18)20(25)26)13-4-1-5-14(10-13)27-15-6-2-8-21-11-15/h1-12H,(H,25,26)
InChIKeyZXYGQOWOYREQCO-UHFFFAOYSA-N
XLogP3.63
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-1-ethyl-6-fluoro-4-oxo-7-(4-pyridinyl)-
CID 5744078
4-Oxo-1-[(4-phenylphenyl)methyl]-1,8-naphthyridine-3-carboxylic acid
CID 46885780
4-[[5-[6-(Dimethylamino)-3-pyridinyl]-2-pyridinyl]methyl]-7-oxothieno[3,2-b]pyridine-6-carboxylic acid
CID 46886023
1-Methyl-4-oxo-7-[4-(2-pyridyl)piperazin-1-yl]-1,6-naphthyridine-3-carboxylic acid
CID 3012862
4-Oxo-7-phenyl-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 11175502
7-(2,6-Dimethyl-4-pyridinyl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 11280380
6-Fluoro-4-oxo-7-(pyridin-4-yl)-1-vinyl-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
CID 13309028
6-Fluoro-1-(2-fluoroethyl)-4-oxo-7-(pyridin-4-yl)-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
CID 13503899
1-Ethyl-4-oxo-7-(pyridin-4-yl)-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
CID 44289258
1-Methyl-4-oxo-7-[4-(2-pyridyl)piperazin-1-yl]-1,8-naphthyridine-3-carboxylic acid
CID 44818820
7-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride
CID 45260641
6-Fluoro-4-oxo-1-(1,3-thiazol-2-yl)-7-thiomorpholin-4-yl-1,8-naphthyridine-3-carboxylic acid;hydrochloride
CID 45262549

Frequently Asked Questions

What is the IUPAC name of 4-oxo-1-(3-pyridin-3-ylsulfanylphenyl)-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 4-oxo-1-(3-pyridin-3-ylsulfanylphenyl)-1,8-naphthyridine-3-carboxylic acid (CID 141328052) is 4-oxo-1-(3-pyridin-3-ylsulfanylphenyl)-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 4-oxo-1-(3-pyridin-3-ylsulfanylphenyl)-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 4-oxo-1-(3-pyridin-3-ylsulfanylphenyl)-1,8-naphthyridine-3-carboxylic acid is O=C(O)c1cn(-c2cccc(Sc3cccnc3)c2)c2ncccc2c1=O.
What is the InChIKey of 4-oxo-1-(3-pyridin-3-ylsulfanylphenyl)-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is ZXYGQOWOYREQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3O3S/c24-18-16-7-3-9-22-19(16)23(12-17(18)20(25)26)13-4-1-5-14(10-13)27-15-6-2-8-21-11-15/h1-12H,(H,25,26).
What are the key properties of 4-oxo-1-(3-pyridin-3-ylsulfanylphenyl)-1,8-naphthyridine-3-carboxylic acid?
4-oxo-1-(3-pyridin-3-ylsulfanylphenyl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 375.41 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1-(3-pyridin-3-ylsulfanylphenyl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 141328052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).