1,3,4,6-tetrahydro-1,6-naphthyridine-2,7-dione

C8H8N2O2 — CID 169245931

IUPAC1,3,4,6-tetrahydro-1,6-naphthyridine-2,7-dione
SMILESO=C1CCc2c[nH]c(=O)cc2N1
InChIInChI=1S/C8H8N2O2/c11-7-2-1-5-4-9-8(12)3-6(5)10-7/h3-4H,1-2H2,(H,9,12)(H,10,11)
InChIKeyASMIJJWOAQHCEP-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.26
Rot. Bonds

About 1,3,4,6-tetrahydro-1,6-naphthyridine-2,7-dione

1,3,4,6-tetrahydro-1,6-naphthyridine-2,7-dione (PubChem CID 169245931) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 1,3,4,6-tetrahydro-1,6-naphthyridine-2,7-dione.

Molecular Properties

Compound Name1,3,4,6-tetrahydro-1,6-naphthyridine-2,7-dione
PubChem CID169245931
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name1,3,4,6-tetrahydro-1,6-naphthyridine-2,7-dione
SMILESO=C1CCc2c[nH]c(=O)cc2N1
InChIInChI=1S/C8H8N2O2/c11-7-2-1-5-4-9-8(12)3-6(5)10-7/h3-4H,1-2H2,(H,9,12)(H,10,11)
InChIKeyASMIJJWOAQHCEP-UHFFFAOYSA-N
XLogP0.26
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5,6,7,8-tetrahydro-2H-isoquinolin-3-one
CID 14494728
6-amino-7-bromo-3,4-dihydro-1H-quinolin-2-one
CID 117209588
3,4,6,7,8,9-hexahydro-1H-pyrido[3,2-g]quinolin-2-one
CID 2749367
6-bromo-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457689
2,3-dichloro-8,9-dihydro-6H-pyrido[2,3-g]quinoxalin-7-one
CID 114966826
6-chloro-3,4-dihydro-1H-quinolin-2-one
CID 11240825
5,6,7,8-tetrahydro-2H-2,6-naphthyridin-3-one
CID 105429463
7-ethyl-6-iodo-3,4-dihydro-1H-quinolin-2-one
CID 145283835
3,4-dihydro-1H-quinolin-2-one;ethane
CID 90913605
6-(chloromethyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457700
7-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid
CID 10965641
7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid
CID 43453281

Frequently Asked Questions

What is the IUPAC name of 1,3,4,6-tetrahydro-1,6-naphthyridine-2,7-dione?
The IUPAC name of 1,3,4,6-tetrahydro-1,6-naphthyridine-2,7-dione (CID 169245931) is 1,3,4,6-tetrahydro-1,6-naphthyridine-2,7-dione.
What is the SMILES notation for 1,3,4,6-tetrahydro-1,6-naphthyridine-2,7-dione?
The canonical SMILES for 1,3,4,6-tetrahydro-1,6-naphthyridine-2,7-dione is O=C1CCc2c[nH]c(=O)cc2N1.
What is the InChIKey of 1,3,4,6-tetrahydro-1,6-naphthyridine-2,7-dione?
The InChIKey is ASMIJJWOAQHCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c11-7-2-1-5-4-9-8(12)3-6(5)10-7/h3-4H,1-2H2,(H,9,12)(H,10,11).
What are the key properties of 1,3,4,6-tetrahydro-1,6-naphthyridine-2,7-dione?
1,3,4,6-tetrahydro-1,6-naphthyridine-2,7-dione has a molecular weight of 164.16 g/mol, XLogP of 0.26, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,6-tetrahydro-1,6-naphthyridine-2,7-dione is sourced from PubChem (CID 169245931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).