3-ethyl-6,7-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-2-one

C13H19NO — CID 82112818

IUPAC3-ethyl-6,7-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCCc1cc2c([nH]c1=O)CC(C)C(C)C2
InChIInChI=1S/C13H19NO/c1-4-10-7-11-5-8(2)9(3)6-12(11)14-13(10)15/h7-9H,4-6H2,1-3H3,(H,14,15)
InChIKeyPIEKOHMVYKJXPZ-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.31
Rot. Bonds1

About 3-ethyl-6,7-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-2-one

3-ethyl-6,7-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 82112818) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-ethyl-6,7-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name3-ethyl-6,7-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID82112818
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-ethyl-6,7-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCCc1cc2c([nH]c1=O)CC(C)C(C)C2
InChIInChI=1S/C13H19NO/c1-4-10-7-11-5-8(2)9(3)6-12(11)14-13(10)15/h7-9H,4-6H2,1-3H3,(H,14,15)
InChIKeyPIEKOHMVYKJXPZ-UHFFFAOYSA-N
XLogP2.31
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-7-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 82111896
3-(hydroxymethyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 82112035
5,6-diethyl-1,2-dimethyl-2,3-dihydro-1H-indene
CID 58834653
6-ethyl-3-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 82111894
3-(bromomethyl)-7-ethyl-1,5-dihydro-1,5-naphthyridine-2,6-dione
CID 166082549
5-bromo-3-ethyl-6-methyl-1H-pyridin-2-one
CID 20779274
3-ethyl-5-fluoro-6-iodo-1H-pyridin-2-one
CID 170115895
2-(azetidin-3-yl)-5-ethyl-1H-pyrimidin-6-one
CID 84656987
ethyl 5-methyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylate
CID 66873834
3,6,7-triethyl-1,2,3,4-tetrahydroisoquinoline
CID 134425720
3-ethyl-6,7-dimethyl-1H-quinolin-2-one
CID 21061119
3-[(cyclopropylamino)methyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 82522704

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6,7-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 3-ethyl-6,7-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 82112818) is 3-ethyl-6,7-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 3-ethyl-6,7-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 3-ethyl-6,7-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-2-one is CCc1cc2c([nH]c1=O)CC(C)C(C)C2.
What is the InChIKey of 3-ethyl-6,7-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is PIEKOHMVYKJXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-10-7-11-5-8(2)9(3)6-12(11)14-13(10)15/h7-9H,4-6H2,1-3H3,(H,14,15).
What are the key properties of 3-ethyl-6,7-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-2-one?
3-ethyl-6,7-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 205.30 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6,7-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 82112818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).