(3-methyl-2H-imidazol-1-yl)-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone;hydroiodide

C15H17F3IN3O — CID 175238221

IUPAC(3-methyl-2H-imidazol-1-yl)-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone;hydroiodide
SMILESCN1C=CN(C(=O)N2CCCc3ccc(C(F)(F)F)cc32)C1.I
InChIInChI=1S/C15H16F3N3O.HI/c1-19-7-8-20(10-19)14(22)21-6-2-3-11-4-5-12(9-13(11)21)15(16,17)18;/h4-5,7-9H,2-3,6,10H2,1H3;1H
InChIKeyKUTSDMIVGUTGLX-UHFFFAOYSA-N
MW439.22 g/mol
LogP3.87
Rot. Bonds

About (3-methyl-2H-imidazol-1-yl)-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone;hydroiodide

(3-methyl-2H-imidazol-1-yl)-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone;hydroiodide (PubChem CID 175238221) has the molecular formula C15H17F3IN3O and a molecular weight of 439.22 g/mol. Its IUPAC name is (3-methyl-2H-imidazol-1-yl)-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone;hydroiodide.

Molecular Properties

Compound Name(3-methyl-2H-imidazol-1-yl)-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone;hydroiodide
PubChem CID175238221
Molecular FormulaC15H17F3IN3O
Molecular Weight439.22 g/mol
Exact Mass439.04
IUPAC Name(3-methyl-2H-imidazol-1-yl)-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone;hydroiodide
SMILESCN1C=CN(C(=O)N2CCCc3ccc(C(F)(F)F)cc32)C1.I
InChIInChI=1S/C15H16F3N3O.HI/c1-19-7-8-20(10-19)14(22)21-6-2-3-11-4-5-12(9-13(11)21)15(16,17)18;/h4-5,7-9H,2-3,6,10H2,1H3;1H
InChIKeyKUTSDMIVGUTGLX-UHFFFAOYSA-N
XLogP3.87
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.22
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(3-methyl-2H-imidazol-1-yl)-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 22047853
propan-2-yl 7-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 141019708
1-[8-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]pentan-1-one
CID 141161915
(5-bromo-2-hydroxyphenyl)-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 10092366
(3-methyl-2H-imidazol-1-yl)-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
CID 141203207
ethane;1-ethyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline
CID 143643900
ethane;1-ethyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline
CID 143643842
2-bromo-2-(4-chlorophenyl)-1-[6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
CID 131964335
1-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
CID 73012338
(4-fluorophenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31839765
(5-chlorothiophen-2-yl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31840933
N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 894781

Frequently Asked Questions

What is the IUPAC name of (3-methyl-2H-imidazol-1-yl)-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone;hydroiodide?
The IUPAC name of (3-methyl-2H-imidazol-1-yl)-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone;hydroiodide (CID 175238221) is (3-methyl-2H-imidazol-1-yl)-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone;hydroiodide.
What is the SMILES notation for (3-methyl-2H-imidazol-1-yl)-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone;hydroiodide?
The canonical SMILES for (3-methyl-2H-imidazol-1-yl)-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone;hydroiodide is CN1C=CN(C(=O)N2CCCc3ccc(C(F)(F)F)cc32)C1.I.
What is the InChIKey of (3-methyl-2H-imidazol-1-yl)-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone;hydroiodide?
The InChIKey is KUTSDMIVGUTGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O.HI/c1-19-7-8-20(10-19)14(22)21-6-2-3-11-4-5-12(9-13(11)21)15(16,17)18;/h4-5,7-9H,2-3,6,10H2,1H3;1H.
What are the key properties of (3-methyl-2H-imidazol-1-yl)-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone;hydroiodide?
(3-methyl-2H-imidazol-1-yl)-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone;hydroiodide has a molecular weight of 439.22 g/mol, XLogP of 3.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2H-imidazol-1-yl)-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone;hydroiodide is sourced from PubChem (CID 175238221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).