2-methyl-3-[2-methyl-5-(trifluoromethyl)quinolin-3-yl]quinolin-8-ol

C21H15F3N2O — CID 152674149

IUPAC2-methyl-3-[2-methyl-5-(trifluoromethyl)quinolin-3-yl]quinolin-8-ol
SMILESCc1nc2cccc(C(F)(F)F)c2cc1-c1cc2cccc(O)c2nc1C
InChIInChI=1S/C21H15F3N2O/c1-11-15(10-16-17(21(22,23)24)6-4-7-18(16)25-11)14-9-13-5-3-8-19(27)20(13)26-12(14)2/h3-10,27H,1-2H3
InChIKeyZMEFZUGZXGIUKV-UHFFFAOYSA-N
MW368.36 g/mol
LogP5.79
Rot. Bonds1

About 2-methyl-3-[2-methyl-5-(trifluoromethyl)quinolin-3-yl]quinolin-8-ol

2-methyl-3-[2-methyl-5-(trifluoromethyl)quinolin-3-yl]quinolin-8-ol (PubChem CID 152674149) has the molecular formula C21H15F3N2O and a molecular weight of 368.36 g/mol. Its IUPAC name is 2-methyl-3-[2-methyl-5-(trifluoromethyl)quinolin-3-yl]quinolin-8-ol.

Molecular Properties

Compound Name2-methyl-3-[2-methyl-5-(trifluoromethyl)quinolin-3-yl]quinolin-8-ol
PubChem CID152674149
Molecular FormulaC21H15F3N2O
Molecular Weight368.36 g/mol
Exact Mass368.11
IUPAC Name2-methyl-3-[2-methyl-5-(trifluoromethyl)quinolin-3-yl]quinolin-8-ol
SMILESCc1nc2cccc(C(F)(F)F)c2cc1-c1cc2cccc(O)c2nc1C
InChIInChI=1S/C21H15F3N2O/c1-11-15(10-16-17(21(22,23)24)6-4-7-18(16)25-11)14-9-13-5-3-8-19(27)20(13)26-12(14)2/h3-10,27H,1-2H3
InChIKeyZMEFZUGZXGIUKV-UHFFFAOYSA-N
XLogP5.79
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.36
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-phenyl-5-(trifluoromethyl)quinolin-3-ol
CID 122604521
3,4-dibromo-2-methyl-8-(trifluoromethyl)quinoline
CID 121236040
5-(trifluoromethyl)quinazolin-2-amine
CID 10488765
2-chloro-5-(trifluoromethyl)quinoline-3-carboxylic acid
CID 87479875
[3-[3-methyl-5-(trifluoromethyl)quinoxalin-2-yl]phenyl] trifluoromethanesulfonate
CID 46203862
2-[3-methyl-5-(trifluoromethyl)quinoxalin-2-yl]-5-phenylbenzamide
CID 67363402
5-(trifluoromethyl)naphthalen-1-ol
CID 90487530
2,4-dimethyl-N-[2-(trifluoromethyl)phenyl]quinoline-3-carboxamide
CID 8966624
2-naphthalen-2-yl-5-(trifluoromethyl)quinoline
CID 167209787
3-chloro-2-methyl-5-(trifluoromethyl)quinoxaline;(2-chlorophenyl)boronic acid;3-(2-chlorophenyl)-2-methyl-5-(trifluoromethyl)quinoxaline;(NE)-N-ethylidenehydroxylamine
CID 172974582
3-methyl-2-[2-(trifluoromethyl)phenyl]quinoline
CID 132515262
2,4-dimethyl-8-(trifluoromethyl)quinoline;ethane
CID 142222859

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-methyl-5-(trifluoromethyl)quinolin-3-yl]quinolin-8-ol?
The IUPAC name of 2-methyl-3-[2-methyl-5-(trifluoromethyl)quinolin-3-yl]quinolin-8-ol (CID 152674149) is 2-methyl-3-[2-methyl-5-(trifluoromethyl)quinolin-3-yl]quinolin-8-ol.
What is the SMILES notation for 2-methyl-3-[2-methyl-5-(trifluoromethyl)quinolin-3-yl]quinolin-8-ol?
The canonical SMILES for 2-methyl-3-[2-methyl-5-(trifluoromethyl)quinolin-3-yl]quinolin-8-ol is Cc1nc2cccc(C(F)(F)F)c2cc1-c1cc2cccc(O)c2nc1C.
What is the InChIKey of 2-methyl-3-[2-methyl-5-(trifluoromethyl)quinolin-3-yl]quinolin-8-ol?
The InChIKey is ZMEFZUGZXGIUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2O/c1-11-15(10-16-17(21(22,23)24)6-4-7-18(16)25-11)14-9-13-5-3-8-19(27)20(13)26-12(14)2/h3-10,27H,1-2H3.
What are the key properties of 2-methyl-3-[2-methyl-5-(trifluoromethyl)quinolin-3-yl]quinolin-8-ol?
2-methyl-3-[2-methyl-5-(trifluoromethyl)quinolin-3-yl]quinolin-8-ol has a molecular weight of 368.36 g/mol, XLogP of 5.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-methyl-5-(trifluoromethyl)quinolin-3-yl]quinolin-8-ol is sourced from PubChem (CID 152674149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).