(3-methylthiophen-2-yl)-[4-phenyl-8-(trifluoromethyl)quinolin-3-yl]methanone

C22H14F3NOS — CID 66914336

IUPAC(3-methylthiophen-2-yl)-[4-phenyl-8-(trifluoromethyl)quinolin-3-yl]methanone
SMILESCc1ccsc1C(=O)c1cnc2c(C(F)(F)F)cccc2c1-c1ccccc1
InChIInChI=1S/C22H14F3NOS/c1-13-10-11-28-21(13)20(27)16-12-26-19-15(8-5-9-17(19)22(23,24)25)18(16)14-6-3-2-4-7-14/h2-12H,1H3
InChIKeyXIYGXLNZNCLEQL-UHFFFAOYSA-N
MW397.42 g/mol
LogP6.52
Rot. Bonds3

About (3-methylthiophen-2-yl)-[4-phenyl-8-(trifluoromethyl)quinolin-3-yl]methanone

(3-methylthiophen-2-yl)-[4-phenyl-8-(trifluoromethyl)quinolin-3-yl]methanone (PubChem CID 66914336) has the molecular formula C22H14F3NOS and a molecular weight of 397.42 g/mol. Its IUPAC name is (3-methylthiophen-2-yl)-[4-phenyl-8-(trifluoromethyl)quinolin-3-yl]methanone.

Molecular Properties

Compound Name(3-methylthiophen-2-yl)-[4-phenyl-8-(trifluoromethyl)quinolin-3-yl]methanone
PubChem CID66914336
Molecular FormulaC22H14F3NOS
Molecular Weight397.42 g/mol
Exact Mass397.07
IUPAC Name(3-methylthiophen-2-yl)-[4-phenyl-8-(trifluoromethyl)quinolin-3-yl]methanone
SMILESCc1ccsc1C(=O)c1cnc2c(C(F)(F)F)cccc2c1-c1ccccc1
InChIInChI=1S/C22H14F3NOS/c1-13-10-11-28-21(13)20(27)16-12-26-19-15(8-5-9-17(19)22(23,24)25)18(16)14-6-3-2-4-7-14/h2-12H,1H3
InChIKeyXIYGXLNZNCLEQL-UHFFFAOYSA-N
XLogP6.52
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.42
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl-[4-thiophen-2-yl-8-(trifluoromethyl)quinolin-3-yl]methanone
CID 11429019
N-methyl-N,4-diphenyl-8-(trifluoromethyl)quinoline-3-carboxamide
CID 66914315
N-methyl-N-(4-methylphenyl)-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide
CID 66914477
N-(2-methoxyphenyl)-N-methyl-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide
CID 66914400
1-[3-[3-benzoyl-8-(trifluoromethyl)quinolin-4-yl]phenyl]-3-thiophen-3-ylurea
CID 66914514
[4-[3-(ethylamino)phenyl]-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone
CID 66914483
N-[(3-ethylphenyl)methyl]-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide
CID 90749427
1-[3-[3-benzoyl-8-(trifluoromethyl)quinolin-4-yl]phenyl]-3-(3-fluorophenyl)urea
CID 66914238
N-(3-fluorophenyl)-N-methyl-4-phenyl-8-(trifluoromethyl)quinoline-3-carboximidamide
CID 151835378
1-[3-[3-benzoyl-8-(trifluoromethyl)quinolin-4-yl]phenyl]-1-(2-phenylethyl)urea
CID 174518730
2-[4-[[3-[3-benzoyl-8-(trifluoromethyl)quinolin-4-yl]-N-methylanilino]methyl]phenyl]acetic acid
CID 66914197
2-[4-[[4-[3-benzoyl-8-(trifluoromethyl)quinolin-4-yl]anilino]methyl]phenyl]acetic acid
CID 68813456

Frequently Asked Questions

What is the IUPAC name of (3-methylthiophen-2-yl)-[4-phenyl-8-(trifluoromethyl)quinolin-3-yl]methanone?
The IUPAC name of (3-methylthiophen-2-yl)-[4-phenyl-8-(trifluoromethyl)quinolin-3-yl]methanone (CID 66914336) is (3-methylthiophen-2-yl)-[4-phenyl-8-(trifluoromethyl)quinolin-3-yl]methanone.
What is the SMILES notation for (3-methylthiophen-2-yl)-[4-phenyl-8-(trifluoromethyl)quinolin-3-yl]methanone?
The canonical SMILES for (3-methylthiophen-2-yl)-[4-phenyl-8-(trifluoromethyl)quinolin-3-yl]methanone is Cc1ccsc1C(=O)c1cnc2c(C(F)(F)F)cccc2c1-c1ccccc1.
What is the InChIKey of (3-methylthiophen-2-yl)-[4-phenyl-8-(trifluoromethyl)quinolin-3-yl]methanone?
The InChIKey is XIYGXLNZNCLEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F3NOS/c1-13-10-11-28-21(13)20(27)16-12-26-19-15(8-5-9-17(19)22(23,24)25)18(16)14-6-3-2-4-7-14/h2-12H,1H3.
What are the key properties of (3-methylthiophen-2-yl)-[4-phenyl-8-(trifluoromethyl)quinolin-3-yl]methanone?
(3-methylthiophen-2-yl)-[4-phenyl-8-(trifluoromethyl)quinolin-3-yl]methanone has a molecular weight of 397.42 g/mol, XLogP of 6.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylthiophen-2-yl)-[4-phenyl-8-(trifluoromethyl)quinolin-3-yl]methanone is sourced from PubChem (CID 66914336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).