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

C12H15NO2 — CID 110709451

IUPAC1-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCOC1CCN(C(C)=O)c2ccccc21
InChIInChI=1S/C12H15NO2/c1-9(14)13-8-7-12(15-2)10-5-3-4-6-11(10)13/h3-6,12H,7-8H2,1-2H3
InChIKeySALDJOMNTCVCHX-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.13
Rot. Bonds1

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

1-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 110709451) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID110709451
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCOC1CCN(C(C)=O)c2ccccc21
InChIInChI=1S/C12H15NO2/c1-9(14)13-8-7-12(15-2)10-5-3-4-6-11(10)13/h3-6,12H,7-8H2,1-2H3
InChIKeySALDJOMNTCVCHX-UHFFFAOYSA-N
XLogP2.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chlorophenyl)-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110709489
1-(4-amino-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 59657880
(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methoxyphenyl)methanone
CID 110709476
(4-fluorophenyl)-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110709472
N-cyclohexyl-4-methoxy-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110746959
2-(2-fluorophenyl)-1-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 110709515
[4-(dimethylamino)phenyl]-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110741415
4-methoxy-1-methyl-3,4-dihydro-2H-quinoline
CID 15531030
2-(3-fluorophenoxy)-1-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 110709524
1-(5-acetyl-4-methyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)ethanone
CID 23241545
1-[5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone
CID 114335777
3-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-1-ethyl-1-methylurea
CID 166185788

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 1-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 110709451) is 1-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 1-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 1-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone is COC1CCN(C(C)=O)c2ccccc21.
What is the InChIKey of 1-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is SALDJOMNTCVCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-9(14)13-8-7-12(15-2)10-5-3-4-6-11(10)13/h3-6,12H,7-8H2,1-2H3.
What are the key properties of 1-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone?
1-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 205.26 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 110709451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).