1-oxidopyrido[3,2-c][1,8]naphthyridin-1-ium

C11H7N3O — CID 70387417

IUPAC1-oxidopyrido[3,2-c][1,8]naphthyridin-1-ium
SMILES[O-][n+]1cccc2cnc3ncccc3c21
InChIInChI=1S/C11H7N3O/c15-14-6-2-3-8-7-13-11-9(10(8)14)4-1-5-12-11/h1-7H
InChIKeyIHXMCUYQMSWHRP-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.42
Rot. Bonds

About 1-oxidopyrido[3,2-c][1,8]naphthyridin-1-ium

1-oxidopyrido[3,2-c][1,8]naphthyridin-1-ium (PubChem CID 70387417) has the molecular formula C11H7N3O and a molecular weight of 197.20 g/mol. Its IUPAC name is 1-oxidopyrido[3,2-c][1,8]naphthyridin-1-ium.

Molecular Properties

Compound Name1-oxidopyrido[3,2-c][1,8]naphthyridin-1-ium
PubChem CID70387417
Molecular FormulaC11H7N3O
Molecular Weight197.20 g/mol
Exact Mass197.06
IUPAC Name1-oxidopyrido[3,2-c][1,8]naphthyridin-1-ium
SMILES[O-][n+]1cccc2cnc3ncccc3c21
InChIInChI=1S/C11H7N3O/c15-14-6-2-3-8-7-13-11-9(10(8)14)4-1-5-12-11/h1-7H
InChIKeyIHXMCUYQMSWHRP-UHFFFAOYSA-N
XLogP1.42
TPSA52.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-oxidopyrido[3,2-c][1,8]naphthyridin-1-ium?
The IUPAC name of 1-oxidopyrido[3,2-c][1,8]naphthyridin-1-ium (CID 70387417) is 1-oxidopyrido[3,2-c][1,8]naphthyridin-1-ium.
What is the SMILES notation for 1-oxidopyrido[3,2-c][1,8]naphthyridin-1-ium?
The canonical SMILES for 1-oxidopyrido[3,2-c][1,8]naphthyridin-1-ium is [O-][n+]1cccc2cnc3ncccc3c21.
What is the InChIKey of 1-oxidopyrido[3,2-c][1,8]naphthyridin-1-ium?
The InChIKey is IHXMCUYQMSWHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O/c15-14-6-2-3-8-7-13-11-9(10(8)14)4-1-5-12-11/h1-7H.
What are the key properties of 1-oxidopyrido[3,2-c][1,8]naphthyridin-1-ium?
1-oxidopyrido[3,2-c][1,8]naphthyridin-1-ium has a molecular weight of 197.20 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxidopyrido[3,2-c][1,8]naphthyridin-1-ium is sourced from PubChem (CID 70387417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).