4a,6,7,8-tetrahydroquinoline-2,5-dione

C9H9NO2 — CID 71302009

IUPAC4a,6,7,8-tetrahydroquinoline-2,5-dione
SMILESO=C1C=CC2C(=O)CCCC2=N1
InChIInChI=1S/C9H9NO2/c11-8-3-1-2-7-6(8)4-5-9(12)10-7/h4-6H,1-3H2
InChIKeyGPSCNDMKHPUQRW-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.89
Rot. Bonds

About 4a,6,7,8-tetrahydroquinoline-2,5-dione

4a,6,7,8-tetrahydroquinoline-2,5-dione (PubChem CID 71302009) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 4a,6,7,8-tetrahydroquinoline-2,5-dione.

Molecular Properties

Compound Name4a,6,7,8-tetrahydroquinoline-2,5-dione
PubChem CID71302009
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name4a,6,7,8-tetrahydroquinoline-2,5-dione
SMILESO=C1C=CC2C(=O)CCCC2=N1
InChIInChI=1S/C9H9NO2/c11-8-3-1-2-7-6(8)4-5-9(12)10-7/h4-6H,1-3H2
InChIKeyGPSCNDMKHPUQRW-UHFFFAOYSA-N
XLogP0.89
TPSA46.50 Ų
H-Bond Donors
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 ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-acetyl-3,5-dimethyl-1,4-benzoquinon-imine
CID 129741736
4a,6-Dihydroquinoline-2,5-dione
CID 69718781
4a,5-dihydro-2H-quinolin-8-one
CID 91275193
4a,6,7,8-tetrahydro-2H-quinolin-5-one
CID 123972882
5,6,7,8-tetrahydro-4aH-quinolin-2-one
CID 71303624
7,7-dimethyl-6,8-dihydro-4aH-quinoline-2,5-dione
CID 73183705
4a,5,7,8-Tetrahydroquinoline-2,6-dione
CID 76137346
6,7-dihydro-4aH-cyclopenta[b]pyridine-2,5-dione
CID 76510726
4a,5a,6,7,8,9,9a,10-Octahydrobenzo[g]quinoline-2,5-dione
CID 76724076
4-acetyl-4aH-quinolin-2-one
CID 78199584
7-Methyl-4a,6,7,8-tetrahydroquinoline-2,5-dione
CID 85132181

Frequently Asked Questions

What is the IUPAC name of 4a,6,7,8-tetrahydroquinoline-2,5-dione?
The IUPAC name of 4a,6,7,8-tetrahydroquinoline-2,5-dione (CID 71302009) is 4a,6,7,8-tetrahydroquinoline-2,5-dione.
What is the SMILES notation for 4a,6,7,8-tetrahydroquinoline-2,5-dione?
The canonical SMILES for 4a,6,7,8-tetrahydroquinoline-2,5-dione is O=C1C=CC2C(=O)CCCC2=N1.
What is the InChIKey of 4a,6,7,8-tetrahydroquinoline-2,5-dione?
The InChIKey is GPSCNDMKHPUQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c11-8-3-1-2-7-6(8)4-5-9(12)10-7/h4-6H,1-3H2.
What are the key properties of 4a,6,7,8-tetrahydroquinoline-2,5-dione?
4a,6,7,8-tetrahydroquinoline-2,5-dione has a molecular weight of 163.18 g/mol, XLogP of 0.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,6,7,8-tetrahydroquinoline-2,5-dione is sourced from PubChem (CID 71302009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).