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

C9H9NO2 — CID 56601522

IUPAC1,5,6,7-tetrahydroquinoline-4,8-dione
SMILESO=C1CCCc2c1[nH]ccc2=O
InChIInChI=1S/C9H9NO2/c11-7-4-5-10-9-6(7)2-1-3-8(9)12/h4-5H,1-3H2,(H,10,11)
InChIKeyOBLDBIAQZMQFRK-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.89
Rot. Bonds

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

1,5,6,7-tetrahydroquinoline-4,8-dione (PubChem CID 56601522) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 1,5,6,7-tetrahydroquinoline-4,8-dione.

Molecular Properties

Compound Name1,5,6,7-tetrahydroquinoline-4,8-dione
PubChem CID56601522
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name1,5,6,7-tetrahydroquinoline-4,8-dione
SMILESO=C1CCCc2c1[nH]ccc2=O
InChIInChI=1S/C9H9NO2/c11-7-4-5-10-9-6(7)2-1-3-8(9)12/h4-5H,1-3H2,(H,10,11)
InChIKeyOBLDBIAQZMQFRK-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

Analyze 1,5,6,7-tetrahydroquinoline-4,8-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 44560612
CID 44560612
CID 17989211
CID 17989211
CID 14978493
CID 14978493
CID 634494
CID 634494
CID 14993948
CID 14993948
CID 129285930
CID 129285930
CID 164582997
CID 164582997
CID 164583505
CID 164583505
CID 164583537
CID 164583537
CID 13962056
CID 13962056
CID 14732817
CID 14732817
CID 19595343
CID 19595343

Frequently Asked Questions

What is the IUPAC name of 1,5,6,7-tetrahydroquinoline-4,8-dione?
The IUPAC name of 1,5,6,7-tetrahydroquinoline-4,8-dione (CID 56601522) is 1,5,6,7-tetrahydroquinoline-4,8-dione.
What is the SMILES notation for 1,5,6,7-tetrahydroquinoline-4,8-dione?
The canonical SMILES for 1,5,6,7-tetrahydroquinoline-4,8-dione is O=C1CCCc2c1[nH]ccc2=O.
What is the InChIKey of 1,5,6,7-tetrahydroquinoline-4,8-dione?
The InChIKey is OBLDBIAQZMQFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c11-7-4-5-10-9-6(7)2-1-3-8(9)12/h4-5H,1-3H2,(H,10,11).
What are the key properties of 1,5,6,7-tetrahydroquinoline-4,8-dione?
1,5,6,7-tetrahydroquinoline-4,8-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 1,5,6,7-tetrahydroquinoline-4,8-dione is sourced from PubChem (CID 56601522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).