(5-bromo-2-hydroxyphenyl)-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone

C17H13BrF3NO2 — CID 10092366

IUPAC(5-bromo-2-hydroxyphenyl)-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESO=C(c1cc(Br)ccc1O)N1CCCc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C17H13BrF3NO2/c18-12-5-6-15(23)13(9-12)16(24)22-7-1-2-10-3-4-11(8-14(10)22)17(19,20)21/h3-6,8-9,23H,1-2,7H2
InChIKeyHYSXGINWLYHGRP-UHFFFAOYSA-N
MW400.19 g/mol
LogP4.77
Rot. Bonds1

About (5-bromo-2-hydroxyphenyl)-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone

(5-bromo-2-hydroxyphenyl)-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone (PubChem CID 10092366) has the molecular formula C17H13BrF3NO2 and a molecular weight of 400.19 g/mol. Its IUPAC name is (5-bromo-2-hydroxyphenyl)-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromo-2-hydroxyphenyl)-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
PubChem CID10092366
Molecular FormulaC17H13BrF3NO2
Molecular Weight400.19 g/mol
Exact Mass399.01
IUPAC Name(5-bromo-2-hydroxyphenyl)-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESO=C(c1cc(Br)ccc1O)N1CCCc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C17H13BrF3NO2/c18-12-5-6-15(23)13(9-12)16(24)22-7-1-2-10-3-4-11(8-14(10)22)17(19,20)21/h3-6,8-9,23H,1-2,7H2
InChIKeyHYSXGINWLYHGRP-UHFFFAOYSA-N
XLogP4.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.19
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 62266900
3,4-dihydro-2H-quinolin-1-yl-(2,5-dihydroxyphenyl)methanone
CID 103891274
propan-2-yl 7-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 141019708
(5-bromo-2-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 65307202
(4-bromo-2-sulfanylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 107021560
(5-bromo-2-fluorophenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63214927
thiophen-3-yl-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31843246
1-[8-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]pentan-1-one
CID 141161915
(3-methyl-2H-imidazol-1-yl)-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 22047853
(2,5-dihydroxyphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 107723234
(4-bromo-2-sulfanylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 107031391
(3-methyl-2H-imidazol-1-yl)-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone;hydroiodide
CID 175238221

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-hydroxyphenyl)-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The IUPAC name of (5-bromo-2-hydroxyphenyl)-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone (CID 10092366) is (5-bromo-2-hydroxyphenyl)-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone.
What is the SMILES notation for (5-bromo-2-hydroxyphenyl)-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The canonical SMILES for (5-bromo-2-hydroxyphenyl)-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone is O=C(c1cc(Br)ccc1O)N1CCCc2ccc(C(F)(F)F)cc21.
What is the InChIKey of (5-bromo-2-hydroxyphenyl)-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The InChIKey is HYSXGINWLYHGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrF3NO2/c18-12-5-6-15(23)13(9-12)16(24)22-7-1-2-10-3-4-11(8-14(10)22)17(19,20)21/h3-6,8-9,23H,1-2,7H2.
What are the key properties of (5-bromo-2-hydroxyphenyl)-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
(5-bromo-2-hydroxyphenyl)-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone has a molecular weight of 400.19 g/mol, XLogP of 4.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-hydroxyphenyl)-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone is sourced from PubChem (CID 10092366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).