pyrano[3,4-c][1,8]naphthyridin-5-one

C11H6N2O2 — CID 156787160

IUPACpyrano[3,4-c][1,8]naphthyridin-5-one
SMILESO=c1nc2ncccc2c2ccocc1-2
InChIInChI=1S/C11H6N2O2/c14-11-9-6-15-5-3-7(9)8-2-1-4-12-10(8)13-11/h1-6H
InChIKeyMXSBAJMZDANYDC-UHFFFAOYSA-N
MW198.18 g/mol
LogP1.69
Rot. Bonds

About pyrano[3,4-c][1,8]naphthyridin-5-one

pyrano[3,4-c][1,8]naphthyridin-5-one (PubChem CID 156787160) has the molecular formula C11H6N2O2 and a molecular weight of 198.18 g/mol. Its IUPAC name is pyrano[3,4-c][1,8]naphthyridin-5-one.

Molecular Properties

Compound Namepyrano[3,4-c][1,8]naphthyridin-5-one
PubChem CID156787160
Molecular FormulaC11H6N2O2
Molecular Weight198.18 g/mol
Exact Mass198.04
IUPAC Namepyrano[3,4-c][1,8]naphthyridin-5-one
SMILESO=c1nc2ncccc2c2ccocc1-2
InChIInChI=1S/C11H6N2O2/c14-11-9-6-15-5-3-7(9)8-2-1-4-12-10(8)13-11/h1-6H
InChIKeyMXSBAJMZDANYDC-UHFFFAOYSA-N
XLogP1.69
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pyrano[3,4-c][1,8]naphthyridin-5-one?
The IUPAC name of pyrano[3,4-c][1,8]naphthyridin-5-one (CID 156787160) is pyrano[3,4-c][1,8]naphthyridin-5-one.
What is the SMILES notation for pyrano[3,4-c][1,8]naphthyridin-5-one?
The canonical SMILES for pyrano[3,4-c][1,8]naphthyridin-5-one is O=c1nc2ncccc2c2ccocc1-2.
What is the InChIKey of pyrano[3,4-c][1,8]naphthyridin-5-one?
The InChIKey is MXSBAJMZDANYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N2O2/c14-11-9-6-15-5-3-7(9)8-2-1-4-12-10(8)13-11/h1-6H.
What are the key properties of pyrano[3,4-c][1,8]naphthyridin-5-one?
pyrano[3,4-c][1,8]naphthyridin-5-one has a molecular weight of 198.18 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrano[3,4-c][1,8]naphthyridin-5-one is sourced from PubChem (CID 156787160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).