2-(4-ethylphenyl)-1-(1,2,3,4-tetrahydroquinolin-4-yl)ethanone

C19H21NO — CID 116598165

IUPAC2-(4-ethylphenyl)-1-(1,2,3,4-tetrahydroquinolin-4-yl)ethanone
SMILESCCc1ccc(CC(=O)C2CCNc3ccccc32)cc1
InChIInChI=1S/C19H21NO/c1-2-14-7-9-15(10-8-14)13-19(21)17-11-12-20-18-6-4-3-5-16(17)18/h3-10,17,20H,2,11-13H2,1H3
InChIKeyGBCXFNUCDIBWEL-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.96
Rot. Bonds4

About 2-(4-ethylphenyl)-1-(1,2,3,4-tetrahydroquinolin-4-yl)ethanone

2-(4-ethylphenyl)-1-(1,2,3,4-tetrahydroquinolin-4-yl)ethanone (PubChem CID 116598165) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-1-(1,2,3,4-tetrahydroquinolin-4-yl)ethanone.

Molecular Properties

Compound Name2-(4-ethylphenyl)-1-(1,2,3,4-tetrahydroquinolin-4-yl)ethanone
PubChem CID116598165
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name2-(4-ethylphenyl)-1-(1,2,3,4-tetrahydroquinolin-4-yl)ethanone
SMILESCCc1ccc(CC(=O)C2CCNc3ccccc32)cc1
InChIInChI=1S/C19H21NO/c1-2-14-7-9-15(10-8-14)13-19(21)17-11-12-20-18-6-4-3-5-16(17)18/h3-10,17,20H,2,11-13H2,1H3
InChIKeyGBCXFNUCDIBWEL-UHFFFAOYSA-N
XLogP3.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-propylphenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 116598109
1-(1,2,3,4-tetrahydroquinolin-4-yl)-2-(1,3-thiazol-5-yl)ethanone
CID 116598213
2-methyl-1-(1,2,3,4-tetrahydroquinolin-4-yl)pentan-1-one
CID 107890284
4-[2-(4-ethylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 63867355
N',N'-dimethyl-1,2,3,4-tetrahydroquinoline-4-carbohydrazide
CID 83022374
N-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 106328633
(4-ethoxyphenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 116598113
tert-butyl (4S)-1,2,3,4-tetrahydroquinoline-4-carboxylate
CID 124603961
2-(4-ethylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone
CID 116561998
(4-fluorophenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 116598164
1-(2,3-dihydro-1H-indol-3-yl)-2-(3-fluorophenyl)ethanone
CID 116594496
N-(3-methyl-2-propan-2-ylbutyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 102905910

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-1-(1,2,3,4-tetrahydroquinolin-4-yl)ethanone?
The IUPAC name of 2-(4-ethylphenyl)-1-(1,2,3,4-tetrahydroquinolin-4-yl)ethanone (CID 116598165) is 2-(4-ethylphenyl)-1-(1,2,3,4-tetrahydroquinolin-4-yl)ethanone.
What is the SMILES notation for 2-(4-ethylphenyl)-1-(1,2,3,4-tetrahydroquinolin-4-yl)ethanone?
The canonical SMILES for 2-(4-ethylphenyl)-1-(1,2,3,4-tetrahydroquinolin-4-yl)ethanone is CCc1ccc(CC(=O)C2CCNc3ccccc32)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-1-(1,2,3,4-tetrahydroquinolin-4-yl)ethanone?
The InChIKey is GBCXFNUCDIBWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-2-14-7-9-15(10-8-14)13-19(21)17-11-12-20-18-6-4-3-5-16(17)18/h3-10,17,20H,2,11-13H2,1H3.
What are the key properties of 2-(4-ethylphenyl)-1-(1,2,3,4-tetrahydroquinolin-4-yl)ethanone?
2-(4-ethylphenyl)-1-(1,2,3,4-tetrahydroquinolin-4-yl)ethanone has a molecular weight of 279.38 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-1-(1,2,3,4-tetrahydroquinolin-4-yl)ethanone is sourced from PubChem (CID 116598165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).