1,4-dihydroxy-6-[3-(methoxysulfinylamino)phenyl]-2-oxo-1,8-naphthyridine

C15H13N3O5S — CID 54735028

IUPAC1,4-dihydroxy-6-[3-(methoxysulfinylamino)phenyl]-2-oxo-1,8-naphthyridine
SMILESCOS(=O)Nc1cccc(-c2cnc3c(c2)c(O)cc(=O)n3O)c1
InChIInChI=1S/C15H13N3O5S/c1-23-24(22)17-11-4-2-3-9(5-11)10-6-12-13(19)7-14(20)18(21)15(12)16-8-10/h2-8,17,19,21H,1H3
InChIKeyNQZKBEUJPXQLJF-UHFFFAOYSA-N
MW347.35 g/mol
LogP1.64
Rot. Bonds4

About 1,4-dihydroxy-6-[3-(methoxysulfinylamino)phenyl]-2-oxo-1,8-naphthyridine

1,4-dihydroxy-6-[3-(methoxysulfinylamino)phenyl]-2-oxo-1,8-naphthyridine (PubChem CID 54735028) has the molecular formula C15H13N3O5S and a molecular weight of 347.35 g/mol. Its IUPAC name is 1,4-dihydroxy-6-[3-(methoxysulfinylamino)phenyl]-2-oxo-1,8-naphthyridine.

Molecular Properties

Compound Name1,4-dihydroxy-6-[3-(methoxysulfinylamino)phenyl]-2-oxo-1,8-naphthyridine
PubChem CID54735028
Molecular FormulaC15H13N3O5S
Molecular Weight347.35 g/mol
Exact Mass347.06
IUPAC Name1,4-dihydroxy-6-[3-(methoxysulfinylamino)phenyl]-2-oxo-1,8-naphthyridine
SMILESCOS(=O)Nc1cccc(-c2cnc3c(c2)c(O)cc(=O)n3O)c1
InChIInChI=1S/C15H13N3O5S/c1-23-24(22)17-11-4-2-3-9(5-11)10-6-12-13(19)7-14(20)18(21)15(12)16-8-10/h2-8,17,19,21H,1H3
InChIKeyNQZKBEUJPXQLJF-UHFFFAOYSA-N
XLogP1.64
TPSA113.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-1-methyl-2-oxo-N-(pyridin-2-yl)-1,2-dihydroquinoline-3-carboxamide
CID 54684094
1-ethyl-4-hydroxy-2-oxo-N-(pyridin-2-yl)-1,2-dihydroquinoline-3-carboxamide
CID 54684095
1,8-Naphthyridine-3-carboxamide, 1,2-dihydro-4-hydroxy-N-(3-methylphenyl)-2-oxo-1-phenyl-
CID 54715428
4-hydroxy-1-methyl-N-(5-methylpyridin-2-yl)-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54686951
4-Hydroxy-1-phenyl-1,8-naphthyridin-2(1H)-one
CID 54686473
4-Hydroxy-3-methyl-1-phenyl-1,8-naphthyridin-2-one
CID 54690129
3-Ethyl-4-hydroxy-1-phenyl-1,8-naphthyridin-2-one
CID 54729693
4-Hydroxy-3-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-2-one
CID 54735445
4-Hydroxy-3-(3-methylbut-2-enyl)-1-phenyl-1,8-naphthyridin-2-one
CID 54735446
4-hydroxy-N-(3-methylpyridin-2-yl)-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54680160
4-hydroxy-2-oxo-N-(pyridin-2-yl)-1,2-dihydroquinoline-3-carboxamide
CID 54682154
N-(3-Ethylphenyl)-1-(3-fluorophenyl)-4-hydroxy-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide
CID 54727091

Frequently Asked Questions

What is the IUPAC name of 1,4-dihydroxy-6-[3-(methoxysulfinylamino)phenyl]-2-oxo-1,8-naphthyridine?
The IUPAC name of 1,4-dihydroxy-6-[3-(methoxysulfinylamino)phenyl]-2-oxo-1,8-naphthyridine (CID 54735028) is 1,4-dihydroxy-6-[3-(methoxysulfinylamino)phenyl]-2-oxo-1,8-naphthyridine.
What is the SMILES notation for 1,4-dihydroxy-6-[3-(methoxysulfinylamino)phenyl]-2-oxo-1,8-naphthyridine?
The canonical SMILES for 1,4-dihydroxy-6-[3-(methoxysulfinylamino)phenyl]-2-oxo-1,8-naphthyridine is COS(=O)Nc1cccc(-c2cnc3c(c2)c(O)cc(=O)n3O)c1.
What is the InChIKey of 1,4-dihydroxy-6-[3-(methoxysulfinylamino)phenyl]-2-oxo-1,8-naphthyridine?
The InChIKey is NQZKBEUJPXQLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O5S/c1-23-24(22)17-11-4-2-3-9(5-11)10-6-12-13(19)7-14(20)18(21)15(12)16-8-10/h2-8,17,19,21H,1H3.
What are the key properties of 1,4-dihydroxy-6-[3-(methoxysulfinylamino)phenyl]-2-oxo-1,8-naphthyridine?
1,4-dihydroxy-6-[3-(methoxysulfinylamino)phenyl]-2-oxo-1,8-naphthyridine has a molecular weight of 347.35 g/mol, XLogP of 1.64, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydroxy-6-[3-(methoxysulfinylamino)phenyl]-2-oxo-1,8-naphthyridine is sourced from PubChem (CID 54735028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).