1,4-dihydro-1,6-naphthyridine-2,3-dione

C8H6N2O2 — CID 58564732

IUPAC1,4-dihydro-1,6-naphthyridine-2,3-dione
SMILESO=C1Cc2cnccc2NC1=O
InChIInChI=1S/C8H6N2O2/c11-7-3-5-4-9-2-1-6(5)10-8(7)12/h1-2,4H,3H2,(H,10,12)
InChIKeyACBOKSXQVANFAD-UHFFFAOYSA-N
MW162.15 g/mol
LogP0.15
Rot. Bonds

About 1,4-dihydro-1,6-naphthyridine-2,3-dione

1,4-dihydro-1,6-naphthyridine-2,3-dione (PubChem CID 58564732) has the molecular formula C8H6N2O2 and a molecular weight of 162.15 g/mol. Its IUPAC name is 1,4-dihydro-1,6-naphthyridine-2,3-dione.

Molecular Properties

Compound Name1,4-dihydro-1,6-naphthyridine-2,3-dione
PubChem CID58564732
Molecular FormulaC8H6N2O2
Molecular Weight162.15 g/mol
Exact Mass162.04
IUPAC Name1,4-dihydro-1,6-naphthyridine-2,3-dione
SMILESO=C1Cc2cnccc2NC1=O
InChIInChI=1S/C8H6N2O2/c11-7-3-5-4-9-2-1-6(5)10-8(7)12/h1-2,4H,3H2,(H,10,12)
InChIKeyACBOKSXQVANFAD-UHFFFAOYSA-N
XLogP0.15
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-dihydro-1H-1,6-naphthyridin-2-one
CID 18952402
5,10-dihydrobenzo[b][1,6]naphthyridine;ethane
CID 90710187
1H-1,7-naphthyridine-2,4-dione
CID 125415230
3,7-diazabicyclo[4.1.0]hepta-1(6),2,4-triene
CID 139787035
1,4-dihydro-1,5-naphthyridine-2,3-dione
CID 58564731
2,3-dihydropyrrolo[3,4-c]pyridin-1-one;hydrochloride
CID 141389708
2-methylidene-1,3-dihydropyrrolo[2,3-c]pyridine
CID 58470524
3,3-difluoro-2,5-dihydro-1H-pyrido[3,4-b][1,4]diazepin-4-one
CID 130600772
CID 101446584
CID 101446584
ethane;3-methyl-1,4-dihydropyrido[3,4-d]pyrimidin-2-one
CID 143776228
1-(2-aminophenyl)-2-(4-chloro-3-pyridinyl)ethanone;deuterium monohydride;5,11-dihydropyrido[4,3-b][1]benzazepin-6-one;hydrochloride
CID 157406588
1,2,3,4-tetrahydropyrido[4,3-c]pyridazine
CID 91080089

Frequently Asked Questions

What is the IUPAC name of 1,4-dihydro-1,6-naphthyridine-2,3-dione?
The IUPAC name of 1,4-dihydro-1,6-naphthyridine-2,3-dione (CID 58564732) is 1,4-dihydro-1,6-naphthyridine-2,3-dione.
What is the SMILES notation for 1,4-dihydro-1,6-naphthyridine-2,3-dione?
The canonical SMILES for 1,4-dihydro-1,6-naphthyridine-2,3-dione is O=C1Cc2cnccc2NC1=O.
What is the InChIKey of 1,4-dihydro-1,6-naphthyridine-2,3-dione?
The InChIKey is ACBOKSXQVANFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2/c11-7-3-5-4-9-2-1-6(5)10-8(7)12/h1-2,4H,3H2,(H,10,12).
What are the key properties of 1,4-dihydro-1,6-naphthyridine-2,3-dione?
1,4-dihydro-1,6-naphthyridine-2,3-dione has a molecular weight of 162.15 g/mol, XLogP of 0.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydro-1,6-naphthyridine-2,3-dione is sourced from PubChem (CID 58564732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).