1,4-dihydroxy-3-phenyl-6-thiophen-2-yl-1,8-naphthyridin-2-one

C18H12N2O3S — CID 54735043

IUPAC1,4-dihydroxy-3-phenyl-6-thiophen-2-yl-1,8-naphthyridin-2-one
SMILESO=c1c(-c2ccccc2)c(O)c2cc(-c3cccs3)cnc2n1O
InChIInChI=1S/C18H12N2O3S/c21-16-13-9-12(14-7-4-8-24-14)10-19-17(13)20(23)18(22)15(16)11-5-2-1-3-6-11/h1-10,21,23H
InChIKeyGGJLQHIXOLCDOY-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.73
Rot. Bonds2

About 1,4-dihydroxy-3-phenyl-6-thiophen-2-yl-1,8-naphthyridin-2-one

1,4-dihydroxy-3-phenyl-6-thiophen-2-yl-1,8-naphthyridin-2-one (PubChem CID 54735043) has the molecular formula C18H12N2O3S and a molecular weight of 336.37 g/mol. Its IUPAC name is 1,4-dihydroxy-3-phenyl-6-thiophen-2-yl-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1,4-dihydroxy-3-phenyl-6-thiophen-2-yl-1,8-naphthyridin-2-one
PubChem CID54735043
Molecular FormulaC18H12N2O3S
Molecular Weight336.37 g/mol
Exact Mass336.06
IUPAC Name1,4-dihydroxy-3-phenyl-6-thiophen-2-yl-1,8-naphthyridin-2-one
SMILESO=c1c(-c2ccccc2)c(O)c2cc(-c3cccs3)cnc2n1O
InChIInChI=1S/C18H12N2O3S/c21-16-13-9-12(14-7-4-8-24-14)10-19-17(13)20(23)18(22)15(16)11-5-2-1-3-6-11/h1-10,21,23H
InChIKeyGGJLQHIXOLCDOY-UHFFFAOYSA-N
XLogP3.73
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1,4-dihydroxy-3-phenyl-6-thiophen-2-yl-1,8-naphthyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4-dihydroxy-3-phenyl-6-thiophen-2-yl-1,8-naphthyridin-2-one?
The IUPAC name of 1,4-dihydroxy-3-phenyl-6-thiophen-2-yl-1,8-naphthyridin-2-one (CID 54735043) is 1,4-dihydroxy-3-phenyl-6-thiophen-2-yl-1,8-naphthyridin-2-one.
What is the SMILES notation for 1,4-dihydroxy-3-phenyl-6-thiophen-2-yl-1,8-naphthyridin-2-one?
The canonical SMILES for 1,4-dihydroxy-3-phenyl-6-thiophen-2-yl-1,8-naphthyridin-2-one is O=c1c(-c2ccccc2)c(O)c2cc(-c3cccs3)cnc2n1O.
What is the InChIKey of 1,4-dihydroxy-3-phenyl-6-thiophen-2-yl-1,8-naphthyridin-2-one?
The InChIKey is GGJLQHIXOLCDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O3S/c21-16-13-9-12(14-7-4-8-24-14)10-19-17(13)20(23)18(22)15(16)11-5-2-1-3-6-11/h1-10,21,23H.
What are the key properties of 1,4-dihydroxy-3-phenyl-6-thiophen-2-yl-1,8-naphthyridin-2-one?
1,4-dihydroxy-3-phenyl-6-thiophen-2-yl-1,8-naphthyridin-2-one has a molecular weight of 336.37 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydroxy-3-phenyl-6-thiophen-2-yl-1,8-naphthyridin-2-one is sourced from PubChem (CID 54735043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).