1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone

C14H17F3N2O2 — CID 78958524

IUPAC1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
SMILESCOc1ccc2c(c1)CCCN2C(=O)CNCC(F)(F)F
InChIInChI=1S/C14H17F3N2O2/c1-21-11-4-5-12-10(7-11)3-2-6-19(12)13(20)8-18-9-14(15,16)17/h4-5,7,18H,2-3,6,8-9H2,1H3
InChIKeyMVZSHSBWLVHTRZ-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.13
Rot. Bonds4

About 1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone

1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone (PubChem CID 78958524) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone.

Molecular Properties

Compound Name1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
PubChem CID78958524
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
SMILESCOc1ccc2c(c1)CCCN2C(=O)CNCC(F)(F)F
InChIInChI=1S/C14H17F3N2O2/c1-21-11-4-5-12-10(7-11)3-2-6-19(12)13(20)8-18-9-14(15,16)17/h4-5,7,18H,2-3,6,8-9H2,1H3
InChIKeyMVZSHSBWLVHTRZ-UHFFFAOYSA-N
XLogP2.13
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone with MolForge

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Related Compounds

1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-[3-(trifluoromethoxy)anilino]ethanone
CID 55542143
5-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid
CID 43580051
2-(1-aminocyclopentyl)-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 64679011
methyl 1-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidine-4-carboxylate
CID 86913398
1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanone
CID 18122079
2-[(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)oxy]acetic acid
CID 137347729
N-cyclopentyl-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxamide
CID 38198162
2-[2-hydroxypropyl(propan-2-yl)amino]-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 111107882
3-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzonitrile
CID 51286920
1-(5-methoxy-2,3-dihydroindol-1-yl)-3-(methylamino)propan-1-one
CID 83624058
2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119310079
2-(2-bromophenoxy)-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 41163763

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
The IUPAC name of 1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone (CID 78958524) is 1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone.
What is the SMILES notation for 1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
The canonical SMILES for 1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone is COc1ccc2c(c1)CCCN2C(=O)CNCC(F)(F)F.
What is the InChIKey of 1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
The InChIKey is MVZSHSBWLVHTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-21-11-4-5-12-10(7-11)3-2-6-19(12)13(20)8-18-9-14(15,16)17/h4-5,7,18H,2-3,6,8-9H2,1H3.
What are the key properties of 1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone has a molecular weight of 302.30 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone is sourced from PubChem (CID 78958524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).