4,4,6-trimethyl-3,8-dihydro-1H-quinoline-2,5-dione

C12H15NO2 — CID 22944527

IUPAC4,4,6-trimethyl-3,8-dihydro-1H-quinoline-2,5-dione
SMILESCC1=CCC2=C(C1=O)C(C)(C)CC(=O)N2
InChIInChI=1S/C12H15NO2/c1-7-4-5-8-10(11(7)15)12(2,3)6-9(14)13-8/h4H,5-6H2,1-3H3,(H,13,14)
InChIKeyKKRHDLIVAFLMHO-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.71
Rot. Bonds

About 4,4,6-trimethyl-3,8-dihydro-1H-quinoline-2,5-dione

4,4,6-trimethyl-3,8-dihydro-1H-quinoline-2,5-dione (PubChem CID 22944527) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 4,4,6-trimethyl-3,8-dihydro-1H-quinoline-2,5-dione.

Molecular Properties

Compound Name4,4,6-trimethyl-3,8-dihydro-1H-quinoline-2,5-dione
PubChem CID22944527
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name4,4,6-trimethyl-3,8-dihydro-1H-quinoline-2,5-dione
SMILESCC1=CCC2=C(C1=O)C(C)(C)CC(=O)N2
InChIInChI=1S/C12H15NO2/c1-7-4-5-8-10(11(7)15)12(2,3)6-9(14)13-8/h4H,5-6H2,1-3H3,(H,13,14)
InChIKeyKKRHDLIVAFLMHO-UHFFFAOYSA-N
XLogP1.71
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,4,6-trimethyl-3,8-dihydro-1H-quinoline-2,5-dione with MolForge

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Related Compounds

6-methyl-1,3,4,8-tetrahydroquinoline-2,5-dione
CID 58784968
(5Z)-2-methyl-5-(2-methylcyclopent-2-en-1-ylidene)cyclopent-2-en-1-one
CID 131236041
4,4,6-trimethyl-2-oxo-1,3-dihydropyridine-5-carbonitrile
CID 10607116
5-methyl-2-methylidene-3H-pyridin-6-one
CID 157403404
6-amino-4,4-dimethyl-1,3-dihydroquinolin-2-one;hydrochloride
CID 131637567
3a-methyl-3,4,5,6-tetrahydro-1H-indol-2-one
CID 11182698
3-methyl-3-sulfanylpyrrolidine-2,5-dione
CID 159261890
6-iodo-6-methyl-1,3-diazepane-2,4-dione
CID 143335302
ethane;7-methyl-2,5-dihydrocyclopenta[c]pyridin-1-one
CID 143933728
2,2,5,5-tetramethylcyclohexane-1,4-dione
CID 13390715
3,3,8,8,15,15,20,20-octamethyltricyclo[20.2.2.210,13]octacosa-1(25),10,12,22(26),23,27-hexaene-4,5,6,7,16,17,18,19-octone
CID 11490337
2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one
CID 70873388

Frequently Asked Questions

What is the IUPAC name of 4,4,6-trimethyl-3,8-dihydro-1H-quinoline-2,5-dione?
The IUPAC name of 4,4,6-trimethyl-3,8-dihydro-1H-quinoline-2,5-dione (CID 22944527) is 4,4,6-trimethyl-3,8-dihydro-1H-quinoline-2,5-dione.
What is the SMILES notation for 4,4,6-trimethyl-3,8-dihydro-1H-quinoline-2,5-dione?
The canonical SMILES for 4,4,6-trimethyl-3,8-dihydro-1H-quinoline-2,5-dione is CC1=CCC2=C(C1=O)C(C)(C)CC(=O)N2.
What is the InChIKey of 4,4,6-trimethyl-3,8-dihydro-1H-quinoline-2,5-dione?
The InChIKey is KKRHDLIVAFLMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-7-4-5-8-10(11(7)15)12(2,3)6-9(14)13-8/h4H,5-6H2,1-3H3,(H,13,14).
What are the key properties of 4,4,6-trimethyl-3,8-dihydro-1H-quinoline-2,5-dione?
4,4,6-trimethyl-3,8-dihydro-1H-quinoline-2,5-dione has a molecular weight of 205.26 g/mol, XLogP of 1.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6-trimethyl-3,8-dihydro-1H-quinoline-2,5-dione is sourced from PubChem (CID 22944527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).