1,6,7,8-tetrahydroquinoline-4,5-dione

C9H9NO2 — CID 14978493

IUPAC1,6,7,8-tetrahydroquinoline-4,5-dione
SMILESO=C1CCCc2[nH]ccc(=O)c21
InChIInChI=1S/C9H9NO2/c11-7-3-1-2-6-9(7)8(12)4-5-10-6/h4-5H,1-3H2,(H,10,12)
InChIKeyRCYRGXOFTDOXQZ-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.89
Rot. Bonds

About 1,6,7,8-tetrahydroquinoline-4,5-dione

1,6,7,8-tetrahydroquinoline-4,5-dione (PubChem CID 14978493) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 1,6,7,8-tetrahydroquinoline-4,5-dione.

Molecular Properties

Compound Name1,6,7,8-tetrahydroquinoline-4,5-dione
PubChem CID14978493
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name1,6,7,8-tetrahydroquinoline-4,5-dione
SMILESO=C1CCCc2[nH]ccc(=O)c21
InChIInChI=1S/C9H9NO2/c11-7-3-1-2-6-9(7)8(12)4-5-10-6/h4-5H,1-3H2,(H,10,12)
InChIKeyRCYRGXOFTDOXQZ-UHFFFAOYSA-N
XLogP0.89
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,4,5,6,7,8-Hexahydroquinolin-4-one
CID 17989211
5-Oxo-1,4,5,6,7,8-hexahydroquinoline
CID 14993948
(5R)-5-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 164581919
5-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 164582052
(5R)-5-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 164582087
(5S)-5-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 164582660
(5R,8R)-8-fluoro-5-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 164582997
(5S,8S)-5-ethyl-8-fluoro-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 164583505
(5R,8R)-5-ethyl-8-fluoro-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 164583537
(5S)-5-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 164583561
(5S)-5-(1,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 175502010
(5R)-5-(1,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 175502082

Frequently Asked Questions

What is the IUPAC name of 1,6,7,8-tetrahydroquinoline-4,5-dione?
The IUPAC name of 1,6,7,8-tetrahydroquinoline-4,5-dione (CID 14978493) is 1,6,7,8-tetrahydroquinoline-4,5-dione.
What is the SMILES notation for 1,6,7,8-tetrahydroquinoline-4,5-dione?
The canonical SMILES for 1,6,7,8-tetrahydroquinoline-4,5-dione is O=C1CCCc2[nH]ccc(=O)c21.
What is the InChIKey of 1,6,7,8-tetrahydroquinoline-4,5-dione?
The InChIKey is RCYRGXOFTDOXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c11-7-3-1-2-6-9(7)8(12)4-5-10-6/h4-5H,1-3H2,(H,10,12).
What are the key properties of 1,6,7,8-tetrahydroquinoline-4,5-dione?
1,6,7,8-tetrahydroquinoline-4,5-dione has a molecular weight of 163.18 g/mol, XLogP of 0.89, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,7,8-tetrahydroquinoline-4,5-dione is sourced from PubChem (CID 14978493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).