1,8-naphthyridine-2,3-dione

C8H4N2O2 — CID 66764726

IUPAC1,8-naphthyridine-2,3-dione
SMILESO=C1C=c2cccnc2=NC1=O
InChIInChI=1S/C8H4N2O2/c11-6-4-5-2-1-3-9-7(5)10-8(6)12/h1-4H
InChIKeyBQIOQCJVWRCOGK-UHFFFAOYSA-N
MW160.13 g/mol
LogP-1.41
Rot. Bonds

About 1,8-naphthyridine-2,3-dione

1,8-naphthyridine-2,3-dione (PubChem CID 66764726) has the molecular formula C8H4N2O2 and a molecular weight of 160.13 g/mol. Its IUPAC name is 1,8-naphthyridine-2,3-dione.

Molecular Properties

Compound Name1,8-naphthyridine-2,3-dione
PubChem CID66764726
Molecular FormulaC8H4N2O2
Molecular Weight160.13 g/mol
Exact Mass160.03
IUPAC Name1,8-naphthyridine-2,3-dione
SMILESO=C1C=c2cccnc2=NC1=O
InChIInChI=1S/C8H4N2O2/c11-6-4-5-2-1-3-9-7(5)10-8(6)12/h1-4H
InChIKeyBQIOQCJVWRCOGK-UHFFFAOYSA-N
XLogP-1.41
TPSA59.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.13
LogP ≤ 5-1.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,8-naphthyridine-2,3-dione?
The IUPAC name of 1,8-naphthyridine-2,3-dione (CID 66764726) is 1,8-naphthyridine-2,3-dione.
What is the SMILES notation for 1,8-naphthyridine-2,3-dione?
The canonical SMILES for 1,8-naphthyridine-2,3-dione is O=C1C=c2cccnc2=NC1=O.
What is the InChIKey of 1,8-naphthyridine-2,3-dione?
The InChIKey is BQIOQCJVWRCOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N2O2/c11-6-4-5-2-1-3-9-7(5)10-8(6)12/h1-4H.
What are the key properties of 1,8-naphthyridine-2,3-dione?
1,8-naphthyridine-2,3-dione has a molecular weight of 160.13 g/mol, XLogP of -1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-naphthyridine-2,3-dione is sourced from PubChem (CID 66764726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).