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

C12H17NO — CID 82111896

IUPAC3-ethyl-7-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCCc1cc2c([nH]c1=O)CC(C)CC2
InChIInChI=1S/C12H17NO/c1-3-9-7-10-5-4-8(2)6-11(10)13-12(9)14/h7-8H,3-6H2,1-2H3,(H,13,14)
InChIKeyNUADSOOFLVOUSX-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.06
Rot. Bonds1

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

3-ethyl-7-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 82111896) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-ethyl-7-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name3-ethyl-7-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID82111896
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-ethyl-7-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCCc1cc2c([nH]c1=O)CC(C)CC2
InChIInChI=1S/C12H17NO/c1-3-9-7-10-5-4-8(2)6-11(10)13-12(9)14/h7-8H,3-6H2,1-2H3,(H,13,14)
InChIKeyNUADSOOFLVOUSX-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-6,7-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 82112818
3-(hydroxymethyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 82112035
ethyl 6-methyl-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
CID 164749425
6-ethyl-7,8-difluoro-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 130370166
6-[2-(3,4-difluoro-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-7,8-difluoro-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 130347361
3-[(cyclopropylamino)methyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 82522704
(6R)-N-(4-ethoxyphenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 95397492
(6R)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3,4-dicarbonitrile
CID 51802119
6-ethyl-3-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 82111894
3,7-dimethyl-5,6,7,8-tetrahydroisochromen-1-one
CID 122378222
6-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 51054917
5-ethyl-1,6,7-trimethyl-2,3-dihydro-1H-indene
CID 170736432

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 3-ethyl-7-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 82111896) is 3-ethyl-7-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 3-ethyl-7-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 3-ethyl-7-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one is CCc1cc2c([nH]c1=O)CC(C)CC2.
What is the InChIKey of 3-ethyl-7-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is NUADSOOFLVOUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-9-7-10-5-4-8(2)6-11(10)13-12(9)14/h7-8H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 3-ethyl-7-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one?
3-ethyl-7-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 191.27 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 82111896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).