1-ethyl-N-methoxy-6-(trifluoromethyl)-2,3-dihydroquinolin-4-imine

C13H15F3N2O — CID 141191919

IUPAC1-ethyl-N-methoxy-6-(trifluoromethyl)-2,3-dihydroquinolin-4-imine
SMILESCCN1CCC(=NOC)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C13H15F3N2O/c1-3-18-7-6-11(17-19-2)10-8-9(13(14,15)16)4-5-12(10)18/h4-5,8H,3,6-7H2,1-2H3
InChIKeyIDINLGWKDHMHOA-UHFFFAOYSA-N
MW272.27 g/mol
LogP3.29
Rot. Bonds2

About 1-ethyl-N-methoxy-6-(trifluoromethyl)-2,3-dihydroquinolin-4-imine

1-ethyl-N-methoxy-6-(trifluoromethyl)-2,3-dihydroquinolin-4-imine (PubChem CID 141191919) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is 1-ethyl-N-methoxy-6-(trifluoromethyl)-2,3-dihydroquinolin-4-imine.

Molecular Properties

Compound Name1-ethyl-N-methoxy-6-(trifluoromethyl)-2,3-dihydroquinolin-4-imine
PubChem CID141191919
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC Name1-ethyl-N-methoxy-6-(trifluoromethyl)-2,3-dihydroquinolin-4-imine
SMILESCCN1CCC(=NOC)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C13H15F3N2O/c1-3-18-7-6-11(17-19-2)10-8-9(13(14,15)16)4-5-12(10)18/h4-5,8H,3,6-7H2,1-2H3
InChIKeyIDINLGWKDHMHOA-UHFFFAOYSA-N
XLogP3.29
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-4-[(1E)-2,2,2-trifluoro-N-hydroxyethanimidoyl]aniline
CID 5405704
Adepren
CID 161461
1(2H)-Quinolinecarboxylic acid, 6-fluoro-3,4-dihydro-4-(hydroxyimino)-, methyl ester
CID 6510077
1-Methyl-2,3-dihydroquinolin-4-imine
CID 161462
N-(6,8-dimethyl-2,3-dihydro-1H-quinolin-4-ylidene)hydroxylamine
CID 135925167
1H,5H-Benzo(ij)quinolizin-1-one, 2,3,6,7-tetrahydro-, oxime
CID 5383245
1,6-Dimethyl-1,2,3,4-tetrahydroquinoline
CID 424100
2,2,2-trifluoro-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 62491976
(NE)-N-(6-butyl-1-hydroxyquinolin-4-ylidene)hydroxylamine
CID 9576055
(NE)-N-(6-hexyl-1-hydroxyquinolin-4-ylidene)hydroxylamine
CID 90672064
(NE)-N-(6,8-dimethyl-2,3-dihydro-1H-quinolin-4-ylidene)hydroxylamine
CID 137016871
N-[1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethylidene]hydroxylamine
CID 779786

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-methoxy-6-(trifluoromethyl)-2,3-dihydroquinolin-4-imine?
The IUPAC name of 1-ethyl-N-methoxy-6-(trifluoromethyl)-2,3-dihydroquinolin-4-imine (CID 141191919) is 1-ethyl-N-methoxy-6-(trifluoromethyl)-2,3-dihydroquinolin-4-imine.
What is the SMILES notation for 1-ethyl-N-methoxy-6-(trifluoromethyl)-2,3-dihydroquinolin-4-imine?
The canonical SMILES for 1-ethyl-N-methoxy-6-(trifluoromethyl)-2,3-dihydroquinolin-4-imine is CCN1CCC(=NOC)c2cc(C(F)(F)F)ccc21.
What is the InChIKey of 1-ethyl-N-methoxy-6-(trifluoromethyl)-2,3-dihydroquinolin-4-imine?
The InChIKey is IDINLGWKDHMHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c1-3-18-7-6-11(17-19-2)10-8-9(13(14,15)16)4-5-12(10)18/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of 1-ethyl-N-methoxy-6-(trifluoromethyl)-2,3-dihydroquinolin-4-imine?
1-ethyl-N-methoxy-6-(trifluoromethyl)-2,3-dihydroquinolin-4-imine has a molecular weight of 272.27 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-methoxy-6-(trifluoromethyl)-2,3-dihydroquinolin-4-imine is sourced from PubChem (CID 141191919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).