1-(2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane

C15H23NO — CID 162374357

IUPAC1-(2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
SMILESCC.CC(=O)N1c2ccc(C)cc2CCC1C
InChIInChI=1S/C13H17NO.C2H6/c1-9-4-7-13-12(8-9)6-5-10(2)14(13)11(3)15;1-2/h4,7-8,10H,5-6H2,1-3H3;1-2H3
InChIKeyOTQJQNBUIYGFAY-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.71
Rot. Bonds

About 1-(2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane

1-(2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane (PubChem CID 162374357) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-(2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane.

Molecular Properties

Compound Name1-(2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
PubChem CID162374357
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-(2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
SMILESCC.CC(=O)N1c2ccc(C)cc2CCC1C
InChIInChI=1S/C13H17NO.C2H6/c1-9-4-7-13-12(8-9)6-5-10(2)14(13)11(3)15;1-2/h4,7-8,10H,5-6H2,1-3H3;1-2H3
InChIKeyOTQJQNBUIYGFAY-UHFFFAOYSA-N
XLogP3.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-dimethyl-2,3-dihydroindol-1-yl)ethanone
CID 170151207
1-[6-(4-hydroperoxyphenyl)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 123143174
1-[(2S)-6-[4-(aminomethyl)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 71291078
1,2,6-trimethyl-3,4-dihydro-2H-quinoline
CID 142003653
methane;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone
CID 159834618
1-[6-[5-(aminomethyl)thiophen-2-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 162374448
cyclohexyl-(2,5-dimethyl-2,3-dihydroindol-1-yl)methanone
CID 20793215
1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-(4-methylphenyl)prop-2-en-1-one
CID 3648502
methyl 6-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-carboxylate
CID 129145240
1-[(2S)-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 118075867
ethane;1-[(2S)-2-methyl-6-[4-(methylaminomethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone;(Z)-pent-2-en-2-amine
CID 144853632
1-acetyl-6-bromo-3,4-dihydro-2H-quinoline-2-carboxylic acid
CID 59625947

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane?
The IUPAC name of 1-(2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane (CID 162374357) is 1-(2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane.
What is the SMILES notation for 1-(2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane?
The canonical SMILES for 1-(2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane is CC.CC(=O)N1c2ccc(C)cc2CCC1C.
What is the InChIKey of 1-(2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane?
The InChIKey is OTQJQNBUIYGFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO.C2H6/c1-9-4-7-13-12(8-9)6-5-10(2)14(13)11(3)15;1-2/h4,7-8,10H,5-6H2,1-3H3;1-2H3.
What are the key properties of 1-(2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane?
1-(2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane has a molecular weight of 233.35 g/mol, XLogP of 3.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane is sourced from PubChem (CID 162374357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).