2-methoxy-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

C13H17NO2 — CID 60721467

IUPAC2-methoxy-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCOCC(=O)N1CCCc2cccc(C)c21
InChIInChI=1S/C13H17NO2/c1-10-5-3-6-11-7-4-8-14(13(10)11)12(15)9-16-2/h3,5-6H,4,7-9H2,1-2H3
InChIKeyFXMPYIMRUPSYMC-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.92
Rot. Bonds2

About 2-methoxy-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

2-methoxy-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 60721467) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-methoxy-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-methoxy-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID60721467
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-methoxy-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCOCC(=O)N1CCCc2cccc(C)c21
InChIInChI=1S/C13H17NO2/c1-10-5-3-6-11-7-4-8-14(13(10)11)12(15)9-16-2/h3,5-6H,4,7-9H2,1-2H3
InChIKeyFXMPYIMRUPSYMC-UHFFFAOYSA-N
XLogP1.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 60704653
2-amino-3-methoxy-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 81088199
1-[3-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione
CID 51289186
1-(7-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 23566601
7-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]chromen-2-one
CID 51289110
1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 115950342
1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-propan-2-yloxyethanone
CID 112602907
1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-(5-methylthiophen-2-yl)butane-1,4-dione
CID 55480720
2-[(4,5-dimethyl-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 24900710
2-bromo-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 63681436
2-[(3-hydroxy-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 143644946
6-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 24900640

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 2-methoxy-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 60721467) is 2-methoxy-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 2-methoxy-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 2-methoxy-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone is COCC(=O)N1CCCc2cccc(C)c21.
What is the InChIKey of 2-methoxy-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is FXMPYIMRUPSYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10-5-3-6-11-7-4-8-14(13(10)11)12(15)9-16-2/h3,5-6H,4,7-9H2,1-2H3.
What are the key properties of 2-methoxy-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
2-methoxy-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 219.28 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 60721467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).