[7-ethyl-8-methyl-2-[2-(trifluoromethyl)phenyl]quinolin-3-yl]methanol

C20H18F3NO — CID 145483233

IUPAC[7-ethyl-8-methyl-2-[2-(trifluoromethyl)phenyl]quinolin-3-yl]methanol
SMILESCCc1ccc2cc(CO)c(-c3ccccc3C(F)(F)F)nc2c1C
InChIInChI=1S/C20H18F3NO/c1-3-13-8-9-14-10-15(11-25)19(24-18(14)12(13)2)16-6-4-5-7-17(16)20(21,22)23/h4-10,25H,3,11H2,1-2H3
InChIKeyQYSHNASJCVCYKA-UHFFFAOYSA-N
MW345.36 g/mol
LogP5.28
Rot. Bonds3

About [7-ethyl-8-methyl-2-[2-(trifluoromethyl)phenyl]quinolin-3-yl]methanol

[7-ethyl-8-methyl-2-[2-(trifluoromethyl)phenyl]quinolin-3-yl]methanol (PubChem CID 145483233) has the molecular formula C20H18F3NO and a molecular weight of 345.36 g/mol. Its IUPAC name is [7-ethyl-8-methyl-2-[2-(trifluoromethyl)phenyl]quinolin-3-yl]methanol.

Molecular Properties

Compound Name[7-ethyl-8-methyl-2-[2-(trifluoromethyl)phenyl]quinolin-3-yl]methanol
PubChem CID145483233
Molecular FormulaC20H18F3NO
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Name[7-ethyl-8-methyl-2-[2-(trifluoromethyl)phenyl]quinolin-3-yl]methanol
SMILESCCc1ccc2cc(CO)c(-c3ccccc3C(F)(F)F)nc2c1C
InChIInChI=1S/C20H18F3NO/c1-3-13-8-9-14-10-15(11-25)19(24-18(14)12(13)2)16-6-4-5-7-17(16)20(21,22)23/h4-10,25H,3,11H2,1-2H3
InChIKeyQYSHNASJCVCYKA-UHFFFAOYSA-N
XLogP5.28
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.36
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [7-ethyl-8-methyl-2-[2-(trifluoromethyl)phenyl]quinolin-3-yl]methanol?
The IUPAC name of [7-ethyl-8-methyl-2-[2-(trifluoromethyl)phenyl]quinolin-3-yl]methanol (CID 145483233) is [7-ethyl-8-methyl-2-[2-(trifluoromethyl)phenyl]quinolin-3-yl]methanol.
What is the SMILES notation for [7-ethyl-8-methyl-2-[2-(trifluoromethyl)phenyl]quinolin-3-yl]methanol?
The canonical SMILES for [7-ethyl-8-methyl-2-[2-(trifluoromethyl)phenyl]quinolin-3-yl]methanol is CCc1ccc2cc(CO)c(-c3ccccc3C(F)(F)F)nc2c1C.
What is the InChIKey of [7-ethyl-8-methyl-2-[2-(trifluoromethyl)phenyl]quinolin-3-yl]methanol?
The InChIKey is QYSHNASJCVCYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3NO/c1-3-13-8-9-14-10-15(11-25)19(24-18(14)12(13)2)16-6-4-5-7-17(16)20(21,22)23/h4-10,25H,3,11H2,1-2H3.
What are the key properties of [7-ethyl-8-methyl-2-[2-(trifluoromethyl)phenyl]quinolin-3-yl]methanol?
[7-ethyl-8-methyl-2-[2-(trifluoromethyl)phenyl]quinolin-3-yl]methanol has a molecular weight of 345.36 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [7-ethyl-8-methyl-2-[2-(trifluoromethyl)phenyl]quinolin-3-yl]methanol is sourced from PubChem (CID 145483233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).