4-oxo-7-phenyl-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid

C18H11N3O3S — CID 11175502

IUPAC4-oxo-7-phenyl-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cn(-c2nccs2)c2nc(-c3ccccc3)ccc2c1=O
InChIInChI=1S/C18H11N3O3S/c22-15-12-6-7-14(11-4-2-1-3-5-11)20-16(12)21(10-13(15)17(23)24)18-19-8-9-25-18/h1-10H,(H,23,24)
InChIKeyLSXPPYCKSYIWDI-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.21
Rot. Bonds3

About 4-oxo-7-phenyl-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid

4-oxo-7-phenyl-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 11175502) has the molecular formula C18H11N3O3S and a molecular weight of 349.37 g/mol. Its IUPAC name is 4-oxo-7-phenyl-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-oxo-7-phenyl-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
PubChem CID11175502
Molecular FormulaC18H11N3O3S
Molecular Weight349.37 g/mol
Exact Mass349.05
IUPAC Name4-oxo-7-phenyl-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cn(-c2nccs2)c2nc(-c3ccccc3)ccc2c1=O
InChIInChI=1S/C18H11N3O3S/c22-15-12-6-7-14(11-4-2-1-3-5-11)20-16(12)21(10-13(15)17(23)24)18-19-8-9-25-18/h1-10H,(H,23,24)
InChIKeyLSXPPYCKSYIWDI-UHFFFAOYSA-N
XLogP3.21
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-7-phenyl-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 4-oxo-7-phenyl-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (CID 11175502) is 4-oxo-7-phenyl-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 4-oxo-7-phenyl-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 4-oxo-7-phenyl-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is O=C(O)c1cn(-c2nccs2)c2nc(-c3ccccc3)ccc2c1=O.
What is the InChIKey of 4-oxo-7-phenyl-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is LSXPPYCKSYIWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N3O3S/c22-15-12-6-7-14(11-4-2-1-3-5-11)20-16(12)21(10-13(15)17(23)24)18-19-8-9-25-18/h1-10H,(H,23,24).
What are the key properties of 4-oxo-7-phenyl-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
4-oxo-7-phenyl-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 349.37 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-7-phenyl-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 11175502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).