7H-1,8-naphthyridin-3-one

C8H6N2O — CID 54258802

IUPAC7H-1,8-naphthyridin-3-one
SMILESO=C1C=NC2=NCC=CC2=C1
InChIInChI=1S/C8H6N2O/c11-7-4-6-2-1-3-9-8(6)10-5-7/h1-2,4-5H,3H2
InChIKeyRBZSELTVBNZFOR-UHFFFAOYSA-N
MW146.15 g/mol
LogP0.53
Rot. Bonds

About 7H-1,8-naphthyridin-3-one

7H-1,8-naphthyridin-3-one (PubChem CID 54258802) has the molecular formula C8H6N2O and a molecular weight of 146.15 g/mol. Its IUPAC name is 7H-1,8-naphthyridin-3-one.

Molecular Properties

Compound Name7H-1,8-naphthyridin-3-one
PubChem CID54258802
Molecular FormulaC8H6N2O
Molecular Weight146.15 g/mol
Exact Mass146.05
IUPAC Name7H-1,8-naphthyridin-3-one
SMILESO=C1C=NC2=NCC=CC2=C1
InChIInChI=1S/C8H6N2O/c11-7-4-6-2-1-3-9-8(6)10-5-7/h1-2,4-5H,3H2
InChIKeyRBZSELTVBNZFOR-UHFFFAOYSA-N
XLogP0.53
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7H-1,8-naphthyridin-3-one?
The IUPAC name of 7H-1,8-naphthyridin-3-one (CID 54258802) is 7H-1,8-naphthyridin-3-one.
What is the SMILES notation for 7H-1,8-naphthyridin-3-one?
The canonical SMILES for 7H-1,8-naphthyridin-3-one is O=C1C=NC2=NCC=CC2=C1.
What is the InChIKey of 7H-1,8-naphthyridin-3-one?
The InChIKey is RBZSELTVBNZFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O/c11-7-4-6-2-1-3-9-8(6)10-5-7/h1-2,4-5H,3H2.
What are the key properties of 7H-1,8-naphthyridin-3-one?
7H-1,8-naphthyridin-3-one has a molecular weight of 146.15 g/mol, XLogP of 0.53, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-1,8-naphthyridin-3-one is sourced from PubChem (CID 54258802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).