2-ethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one

C11H15NO — CID 14950475

IUPAC2-ethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
SMILESCCc1cc(=O)c2c([nH]1)CCCC2
InChIInChI=1S/C11H15NO/c1-2-8-7-11(13)9-5-3-4-6-10(9)12-8/h7H,2-6H2,1H3,(H,12,13)
InChIKeyNJWGRRJXPYNYFY-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.82
Rot. Bonds1

About 2-ethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one

2-ethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one (PubChem CID 14950475) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-ethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one.

Molecular Properties

Compound Name2-ethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
PubChem CID14950475
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2-ethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
SMILESCCc1cc(=O)c2c([nH]1)CCCC2
InChIInChI=1S/C11H15NO/c1-2-8-7-11(13)9-5-3-4-6-10(9)12-8/h7H,2-6H2,1H3,(H,12,13)
InChIKeyNJWGRRJXPYNYFY-UHFFFAOYSA-N
XLogP1.82
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-Oxocyclohex-1-En-1-Yl)octanamide
CID 53239922
2-pentanoyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 44560612
1,4,5,6,7,8-Hexahydroquinolin-4-one
CID 17989211
9H-Cyclopenta(b)quinolin-9-one, 1,2,3,4,5,6,7,8-octahydro-
CID 3041823
2-Methyl-5,6,7,8-tetrahydroquinolin-4(1H)-one
CID 12798227
3-Methyl-5,6,7,8-tetrahydro-2H-isoquinolin-1-one
CID 12331498
2-(Trifluoromethyl)-5,6,7,8-tetrahydroquinolin-4-ol
CID 15171318
2-(trifluoromethyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one
CID 23224237
2-methyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 129285879
2-methyl-7-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 129285891
1,3,4,5,6,7,8,10-Octahydro-2H-acridin-9-one
CID 58869997
2-Methyl-4-hydroxy-3-chloro-5,6,7,8-tetrahydroquinoline
CID 13283168

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The IUPAC name of 2-ethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one (CID 14950475) is 2-ethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one.
What is the SMILES notation for 2-ethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The canonical SMILES for 2-ethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one is CCc1cc(=O)c2c([nH]1)CCCC2.
What is the InChIKey of 2-ethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The InChIKey is NJWGRRJXPYNYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-2-8-7-11(13)9-5-3-4-6-10(9)12-8/h7H,2-6H2,1H3,(H,12,13).
What are the key properties of 2-ethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one?
2-ethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one has a molecular weight of 177.25 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one is sourced from PubChem (CID 14950475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).