1-ethyl-4,7,7-trimethyl-6,8-dihydroquinoline-2,5-dione

C14H19NO2 — CID 822396

IUPAC1-ethyl-4,7,7-trimethyl-6,8-dihydroquinoline-2,5-dione
SMILESCCn1c2c(c(C)cc1=O)C(=O)CC(C)(C)C2
InChIInChI=1S/C14H19NO2/c1-5-15-10-7-14(3,4)8-11(16)13(10)9(2)6-12(15)17/h6H,5,7-8H2,1-4H3
InChIKeyAYMFPCDOUSZSPF-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.33
Rot. Bonds1

About 1-ethyl-4,7,7-trimethyl-6,8-dihydroquinoline-2,5-dione

1-ethyl-4,7,7-trimethyl-6,8-dihydroquinoline-2,5-dione (PubChem CID 822396) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-ethyl-4,7,7-trimethyl-6,8-dihydroquinoline-2,5-dione.

Molecular Properties

Compound Name1-ethyl-4,7,7-trimethyl-6,8-dihydroquinoline-2,5-dione
PubChem CID822396
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-ethyl-4,7,7-trimethyl-6,8-dihydroquinoline-2,5-dione
SMILESCCn1c2c(c(C)cc1=O)C(=O)CC(C)(C)C2
InChIInChI=1S/C14H19NO2/c1-5-15-10-7-14(3,4)8-11(16)13(10)9(2)6-12(15)17/h6H,5,7-8H2,1-4H3
InChIKeyAYMFPCDOUSZSPF-UHFFFAOYSA-N
XLogP2.33
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-4,7,7-trimethyl-6,8-dihydroquinoline-2,5-dione with MolForge

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Related Compounds

N-ethyl-5-oxo-5,6,7,8-tetrahydrocarbostyril
CID 12229996
1-(5,5-Dimethyl-3-oxocyclohex-1-en-1-yl)pyridin-2(1H)-one
CID 339625
Quinolin-5(6H)-one, 7,8-dihydro-2-hydroxy-4,7,7-trimethyl-
CID 591156
7,7-dimethyl-1-(2,2,2-trifluoroacetyl)-3,4,6,8-tetrahydro-2H-quinolin-5-one
CID 71523717
(7R)-7-methyl-7-(4-methylpent-3-enyl)-1-(2,2,2-trifluoroacetyl)-3,4,6,8-tetrahydro-2H-quinolin-5-one
CID 102314864
6-[(4-Fluorocyclohexyl)methyl]-3,3,4-trimethyl-1-propanoyl-2,4-dihydroindol-5-one
CID 170603599
1,4,7,7-tetramethyl-7,8-dihydro-2,5(1H,6H)-quinolinedione
CID 2728741
2,5(1H,6H)-Quinolinedione, 7,8-dihydro-1-propyl-
CID 10013187
5,6,7,8-tetrahydro-1-(3-methyl-2-butenyl)-5-oxo-2(1H)-quinolinone
CID 10105297
5,6,7,8-tetrahydro-5-oxo-1-(2-propenyl)-2(1H)-quinolinone
CID 10330512
1-hexyl-5,6,7,8-tetrahydro-5-oxo-2(1H)-quinolinone
CID 10422086
1-(2-methylpropyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 11775608

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4,7,7-trimethyl-6,8-dihydroquinoline-2,5-dione?
The IUPAC name of 1-ethyl-4,7,7-trimethyl-6,8-dihydroquinoline-2,5-dione (CID 822396) is 1-ethyl-4,7,7-trimethyl-6,8-dihydroquinoline-2,5-dione.
What is the SMILES notation for 1-ethyl-4,7,7-trimethyl-6,8-dihydroquinoline-2,5-dione?
The canonical SMILES for 1-ethyl-4,7,7-trimethyl-6,8-dihydroquinoline-2,5-dione is CCn1c2c(c(C)cc1=O)C(=O)CC(C)(C)C2.
What is the InChIKey of 1-ethyl-4,7,7-trimethyl-6,8-dihydroquinoline-2,5-dione?
The InChIKey is AYMFPCDOUSZSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-5-15-10-7-14(3,4)8-11(16)13(10)9(2)6-12(15)17/h6H,5,7-8H2,1-4H3.
What are the key properties of 1-ethyl-4,7,7-trimethyl-6,8-dihydroquinoline-2,5-dione?
1-ethyl-4,7,7-trimethyl-6,8-dihydroquinoline-2,5-dione has a molecular weight of 233.31 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4,7,7-trimethyl-6,8-dihydroquinoline-2,5-dione is sourced from PubChem (CID 822396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).