4,6-dihydro-1H-1,6-naphthyridine-2,3,5-trione

C8H6N2O3 — CID 58286731

IUPAC4,6-dihydro-1H-1,6-naphthyridine-2,3,5-trione
SMILESO=C1Cc2c(cc[nH]c2=O)NC1=O
InChIInChI=1S/C8H6N2O3/c11-6-3-4-5(10-8(6)13)1-2-9-7(4)12/h1-2H,3H2,(H,9,12)(H,10,13)
InChIKeyHUIVQAIWTOKXFV-UHFFFAOYSA-N
MW178.15 g/mol
LogP-0.56
Rot. Bonds

About 4,6-dihydro-1H-1,6-naphthyridine-2,3,5-trione

4,6-dihydro-1H-1,6-naphthyridine-2,3,5-trione (PubChem CID 58286731) has the molecular formula C8H6N2O3 and a molecular weight of 178.15 g/mol. Its IUPAC name is 4,6-dihydro-1H-1,6-naphthyridine-2,3,5-trione.

Molecular Properties

Compound Name4,6-dihydro-1H-1,6-naphthyridine-2,3,5-trione
PubChem CID58286731
Molecular FormulaC8H6N2O3
Molecular Weight178.15 g/mol
Exact Mass178.04
IUPAC Name4,6-dihydro-1H-1,6-naphthyridine-2,3,5-trione
SMILESO=C1Cc2c(cc[nH]c2=O)NC1=O
InChIInChI=1S/C8H6N2O3/c11-6-3-4-5(10-8(6)13)1-2-9-7(4)12/h1-2H,3H2,(H,9,12)(H,10,13)
InChIKeyHUIVQAIWTOKXFV-UHFFFAOYSA-N
XLogP-0.56
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methylidene-4,6-dihydro-1H-1,6-naphthyridine-3,5-dione
CID 158182969
7-methylidene-3-azabicyclo[4.2.0]octa-1(6),4-dien-2-one
CID 13405592
2,5,6,11-tetrahydropyrido[4,3-c][1]benzazepin-1-one
CID 57265088
1,4-dihydro-1,5-naphthyridine-2,3-dione
CID 58564731
6-bromo-1,4-dihydroquinoline-2,3-dione
CID 58064696
1,4-dihydro-1,6-naphthyridine-2,3-dione
CID 58564732
7-tert-butyl-1,4-dihydroquinoline-2,3-dione
CID 59151703
calcium;1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione;carbonate
CID 175535209
1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione;furan
CID 174941775
1,3,4,6-tetrahydropyrano[4,3-c]pyridin-5-one
CID 176697561
6-amino-1-oxo-5,7-dihydro-2H-cyclopenta[c]pyridine-6-carbonitrile
CID 163914109
6-methyl-1-oxo-5,7-dihydro-2H-cyclopenta[c]pyridine-6-carbonitrile
CID 166893008

Frequently Asked Questions

What is the IUPAC name of 4,6-dihydro-1H-1,6-naphthyridine-2,3,5-trione?
The IUPAC name of 4,6-dihydro-1H-1,6-naphthyridine-2,3,5-trione (CID 58286731) is 4,6-dihydro-1H-1,6-naphthyridine-2,3,5-trione.
What is the SMILES notation for 4,6-dihydro-1H-1,6-naphthyridine-2,3,5-trione?
The canonical SMILES for 4,6-dihydro-1H-1,6-naphthyridine-2,3,5-trione is O=C1Cc2c(cc[nH]c2=O)NC1=O.
What is the InChIKey of 4,6-dihydro-1H-1,6-naphthyridine-2,3,5-trione?
The InChIKey is HUIVQAIWTOKXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O3/c11-6-3-4-5(10-8(6)13)1-2-9-7(4)12/h1-2H,3H2,(H,9,12)(H,10,13).
What are the key properties of 4,6-dihydro-1H-1,6-naphthyridine-2,3,5-trione?
4,6-dihydro-1H-1,6-naphthyridine-2,3,5-trione has a molecular weight of 178.15 g/mol, XLogP of -0.56, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dihydro-1H-1,6-naphthyridine-2,3,5-trione is sourced from PubChem (CID 58286731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).