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

C12H17NO — CID 82111894

IUPAC6-ethyl-3-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCCC1CCc2[nH]c(=O)c(C)cc2C1
InChIInChI=1S/C12H17NO/c1-3-9-4-5-11-10(7-9)6-8(2)12(14)13-11/h6,9H,3-5,7H2,1-2H3,(H,13,14)
InChIKeyHJUFUMHTNUBZKU-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.20
Rot. Bonds1

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

6-ethyl-3-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 82111894) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 6-ethyl-3-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-ethyl-3-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID82111894
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name6-ethyl-3-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCCC1CCc2[nH]c(=O)c(C)cc2C1
InChIInChI=1S/C12H17NO/c1-3-9-4-5-11-10(7-9)6-8(2)12(14)13-11/h6,9H,3-5,7H2,1-2H3,(H,13,14)
InChIKeyHJUFUMHTNUBZKU-UHFFFAOYSA-N
XLogP2.20
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-ethyl-3-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one with MolForge

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Related Compounds

3-methyl-6-propan-2-yl-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 82112815
6-ethyl-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 167973330
6-ethyl-N-[3-(3-methyl-1,2,4-triazol-4-yl)phenyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 154844621
3-(hydroxymethyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 82112035
bis(3-ethylcyclopentan-1-one);methane
CID 159745334
2-ethyl-5-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalene
CID 58719081
7-ethyl-5,6,7,8-tetrahydroisoquinolin-3-amine
CID 165453352
3-ethyl-7-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 82111896
(4-methylpiperazin-1-yl)-(5-propyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methanone
CID 70938070
3-ethyl-6,7-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 82112818
2-ethyl-7-fluoro-6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene
CID 139852706
5-methyl-3,7-dihydro-2H-thieno[2,3-b]pyridin-6-one
CID 14198229

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 6-ethyl-3-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 82111894) is 6-ethyl-3-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 6-ethyl-3-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 6-ethyl-3-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one is CCC1CCc2[nH]c(=O)c(C)cc2C1.
What is the InChIKey of 6-ethyl-3-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is HJUFUMHTNUBZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-9-4-5-11-10(7-9)6-8(2)12(14)13-11/h6,9H,3-5,7H2,1-2H3,(H,13,14).
What are the key properties of 6-ethyl-3-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one?
6-ethyl-3-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 191.27 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 82111894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).