9-(2-hydroxyphenyl)-2,3,4,6-tetrahydropyridazino[3,4-c][2,6]naphthyridine-1,5-dione

C16H12N4O3 — CID 156562178

IUPAC9-(2-hydroxyphenyl)-2,3,4,6-tetrahydropyridazino[3,4-c][2,6]naphthyridine-1,5-dione
SMILESO=C1NCCc2c1c1cc(-c3ccccc3O)nnc1[nH]c2=O
InChIInChI=1S/C16H12N4O3/c21-12-4-2-1-3-8(12)11-7-10-13-9(5-6-17-16(13)23)15(22)18-14(10)20-19-11/h1-4,7,21H,5-6H2,(H,17,23)(H,18,20,22)
InChIKeyPUGFQSMLTZXRPR-UHFFFAOYSA-N
MW308.30 g/mol
LogP0.98
Rot. Bonds1

About 9-(2-hydroxyphenyl)-2,3,4,6-tetrahydropyridazino[3,4-c][2,6]naphthyridine-1,5-dione

9-(2-hydroxyphenyl)-2,3,4,6-tetrahydropyridazino[3,4-c][2,6]naphthyridine-1,5-dione (PubChem CID 156562178) has the molecular formula C16H12N4O3 and a molecular weight of 308.30 g/mol. Its IUPAC name is 9-(2-hydroxyphenyl)-2,3,4,6-tetrahydropyridazino[3,4-c][2,6]naphthyridine-1,5-dione.

Molecular Properties

Compound Name9-(2-hydroxyphenyl)-2,3,4,6-tetrahydropyridazino[3,4-c][2,6]naphthyridine-1,5-dione
PubChem CID156562178
Molecular FormulaC16H12N4O3
Molecular Weight308.30 g/mol
Exact Mass308.09
IUPAC Name9-(2-hydroxyphenyl)-2,3,4,6-tetrahydropyridazino[3,4-c][2,6]naphthyridine-1,5-dione
SMILESO=C1NCCc2c1c1cc(-c3ccccc3O)nnc1[nH]c2=O
InChIInChI=1S/C16H12N4O3/c21-12-4-2-1-3-8(12)11-7-10-13-9(5-6-17-16(13)23)15(22)18-14(10)20-19-11/h1-4,7,21H,5-6H2,(H,17,23)(H,18,20,22)
InChIKeyPUGFQSMLTZXRPR-UHFFFAOYSA-N
XLogP0.98
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(2-hydroxyphenyl)-2,3,4,6-tetrahydropyridazino[3,4-c][2,6]naphthyridine-1,5-dione?
The IUPAC name of 9-(2-hydroxyphenyl)-2,3,4,6-tetrahydropyridazino[3,4-c][2,6]naphthyridine-1,5-dione (CID 156562178) is 9-(2-hydroxyphenyl)-2,3,4,6-tetrahydropyridazino[3,4-c][2,6]naphthyridine-1,5-dione.
What is the SMILES notation for 9-(2-hydroxyphenyl)-2,3,4,6-tetrahydropyridazino[3,4-c][2,6]naphthyridine-1,5-dione?
The canonical SMILES for 9-(2-hydroxyphenyl)-2,3,4,6-tetrahydropyridazino[3,4-c][2,6]naphthyridine-1,5-dione is O=C1NCCc2c1c1cc(-c3ccccc3O)nnc1[nH]c2=O.
What is the InChIKey of 9-(2-hydroxyphenyl)-2,3,4,6-tetrahydropyridazino[3,4-c][2,6]naphthyridine-1,5-dione?
The InChIKey is PUGFQSMLTZXRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O3/c21-12-4-2-1-3-8(12)11-7-10-13-9(5-6-17-16(13)23)15(22)18-14(10)20-19-11/h1-4,7,21H,5-6H2,(H,17,23)(H,18,20,22).
What are the key properties of 9-(2-hydroxyphenyl)-2,3,4,6-tetrahydropyridazino[3,4-c][2,6]naphthyridine-1,5-dione?
9-(2-hydroxyphenyl)-2,3,4,6-tetrahydropyridazino[3,4-c][2,6]naphthyridine-1,5-dione has a molecular weight of 308.30 g/mol, XLogP of 0.98, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-hydroxyphenyl)-2,3,4,6-tetrahydropyridazino[3,4-c][2,6]naphthyridine-1,5-dione is sourced from PubChem (CID 156562178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).