1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-[3-(trifluoromethoxy)anilino]ethanone

C19H19F3N2O3 — CID 55542143

IUPAC1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-[3-(trifluoromethoxy)anilino]ethanone
SMILESCOc1ccc2c(c1)CCCN2C(=O)CNc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C19H19F3N2O3/c1-26-15-7-8-17-13(10-15)4-3-9-24(17)18(25)12-23-14-5-2-6-16(11-14)27-19(20,21)22/h2,5-8,10-11,23H,3-4,9,12H2,1H3
InChIKeyAJHQBCBJVSXMCZ-UHFFFAOYSA-N
MW380.37 g/mol
LogP3.99
Rot. Bonds5

About 1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-[3-(trifluoromethoxy)anilino]ethanone

1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-[3-(trifluoromethoxy)anilino]ethanone (PubChem CID 55542143) has the molecular formula C19H19F3N2O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is 1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-[3-(trifluoromethoxy)anilino]ethanone.

Molecular Properties

Compound Name1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-[3-(trifluoromethoxy)anilino]ethanone
PubChem CID55542143
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC Name1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-[3-(trifluoromethoxy)anilino]ethanone
SMILESCOc1ccc2c(c1)CCCN2C(=O)CNc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C19H19F3N2O3/c1-26-15-7-8-17-13(10-15)4-3-9-24(17)18(25)12-23-14-5-2-6-16(11-14)27-19(20,21)22/h2,5-8,10-11,23H,3-4,9,12H2,1H3
InChIKeyAJHQBCBJVSXMCZ-UHFFFAOYSA-N
XLogP3.99
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-[3-(trifluoromethoxy)anilino]ethanone with MolForge

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Related Compounds

1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 78958524
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethoxyanilino)ethanone
CID 54825851
2,2-dimethyl-3-oxo-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]propanenitrile
CID 60530285
1-[2-(3-methoxyanilino)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide;molecular hydrogen
CID 159369435
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2,5-dimethoxyanilino)ethanone
CID 54813893
1-(2,3-dihydroindol-1-yl)-3-(3-methoxyanilino)propan-1-one
CID 109034751
N-(4-methylphenyl)-2-[2-oxo-2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethyl]sulfanylacetamide
CID 55671719
2-anilino-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;hydrochloride
CID 119685862
5-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid
CID 43580051
3-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzonitrile
CID 51286920
2-(2-bromophenoxy)-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 41163763
N-[2,6-di(propan-2-yl)phenyl]-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanamide
CID 139751023

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-[3-(trifluoromethoxy)anilino]ethanone?
The IUPAC name of 1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-[3-(trifluoromethoxy)anilino]ethanone (CID 55542143) is 1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-[3-(trifluoromethoxy)anilino]ethanone.
What is the SMILES notation for 1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-[3-(trifluoromethoxy)anilino]ethanone?
The canonical SMILES for 1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-[3-(trifluoromethoxy)anilino]ethanone is COc1ccc2c(c1)CCCN2C(=O)CNc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-[3-(trifluoromethoxy)anilino]ethanone?
The InChIKey is AJHQBCBJVSXMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3/c1-26-15-7-8-17-13(10-15)4-3-9-24(17)18(25)12-23-14-5-2-6-16(11-14)27-19(20,21)22/h2,5-8,10-11,23H,3-4,9,12H2,1H3.
What are the key properties of 1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-[3-(trifluoromethoxy)anilino]ethanone?
1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-[3-(trifluoromethoxy)anilino]ethanone has a molecular weight of 380.37 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-[3-(trifluoromethoxy)anilino]ethanone is sourced from PubChem (CID 55542143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).