5-hydroxy-6-phenyl-3,4,6,9-tetrahydro-2H-pyrano[3,2-c][1,5]naphthyridin-5-ium

C17H17N2O2+ — CID 135973991

IUPAC5-hydroxy-6-phenyl-3,4,6,9-tetrahydro-2H-pyrano[3,2-c][1,5]naphthyridin-5-ium
SMILESO[N+]1=C2CCCN=C2C2=C(C=CCO2)C1c1ccccc1
InChIInChI=1S/C17H17N2O2/c20-19-14-9-4-10-18-15(14)17-13(8-5-11-21-17)16(19)12-6-2-1-3-7-12/h1-3,5-8,16,20H,4,9-11H2/q+1
InChIKeyPDKNXTODGDXWEJ-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.66
Rot. Bonds1

About 5-hydroxy-6-phenyl-3,4,6,9-tetrahydro-2H-pyrano[3,2-c][1,5]naphthyridin-5-ium

5-hydroxy-6-phenyl-3,4,6,9-tetrahydro-2H-pyrano[3,2-c][1,5]naphthyridin-5-ium (PubChem CID 135973991) has the molecular formula C17H17N2O2+ and a molecular weight of 281.33 g/mol. Its IUPAC name is 5-hydroxy-6-phenyl-3,4,6,9-tetrahydro-2H-pyrano[3,2-c][1,5]naphthyridin-5-ium.

Molecular Properties

Compound Name5-hydroxy-6-phenyl-3,4,6,9-tetrahydro-2H-pyrano[3,2-c][1,5]naphthyridin-5-ium
PubChem CID135973991
Molecular FormulaC17H17N2O2+
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC Name5-hydroxy-6-phenyl-3,4,6,9-tetrahydro-2H-pyrano[3,2-c][1,5]naphthyridin-5-ium
SMILESO[N+]1=C2CCCN=C2C2=C(C=CCO2)C1c1ccccc1
InChIInChI=1S/C17H17N2O2/c20-19-14-9-4-10-18-15(14)17-13(8-5-11-21-17)16(19)12-6-2-1-3-7-12/h1-3,5-8,16,20H,4,9-11H2/q+1
InChIKeyPDKNXTODGDXWEJ-UHFFFAOYSA-N
XLogP2.66
TPSA44.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 5-hydroxy-6-phenyl-3,4,6,9-tetrahydro-2H-pyrano[3,2-c][1,5]naphthyridin-5-ium 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 5-hydroxy-6-phenyl-3,4,6,9-tetrahydro-2H-pyrano[3,2-c][1,5]naphthyridin-5-ium?
The IUPAC name of 5-hydroxy-6-phenyl-3,4,6,9-tetrahydro-2H-pyrano[3,2-c][1,5]naphthyridin-5-ium (CID 135973991) is 5-hydroxy-6-phenyl-3,4,6,9-tetrahydro-2H-pyrano[3,2-c][1,5]naphthyridin-5-ium.
What is the SMILES notation for 5-hydroxy-6-phenyl-3,4,6,9-tetrahydro-2H-pyrano[3,2-c][1,5]naphthyridin-5-ium?
The canonical SMILES for 5-hydroxy-6-phenyl-3,4,6,9-tetrahydro-2H-pyrano[3,2-c][1,5]naphthyridin-5-ium is O[N+]1=C2CCCN=C2C2=C(C=CCO2)C1c1ccccc1.
What is the InChIKey of 5-hydroxy-6-phenyl-3,4,6,9-tetrahydro-2H-pyrano[3,2-c][1,5]naphthyridin-5-ium?
The InChIKey is PDKNXTODGDXWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N2O2/c20-19-14-9-4-10-18-15(14)17-13(8-5-11-21-17)16(19)12-6-2-1-3-7-12/h1-3,5-8,16,20H,4,9-11H2/q+1.
What are the key properties of 5-hydroxy-6-phenyl-3,4,6,9-tetrahydro-2H-pyrano[3,2-c][1,5]naphthyridin-5-ium?
5-hydroxy-6-phenyl-3,4,6,9-tetrahydro-2H-pyrano[3,2-c][1,5]naphthyridin-5-ium has a molecular weight of 281.33 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-phenyl-3,4,6,9-tetrahydro-2H-pyrano[3,2-c][1,5]naphthyridin-5-ium is sourced from PubChem (CID 135973991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).