1-(4-methoxyphenyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-one

C17H16F3NO2 — CID 44821229

IUPAC1-(4-methoxyphenyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCOc1ccc(-n2c3c(c(C(F)(F)F)cc2=O)CCCC3)cc1
InChIInChI=1S/C17H16F3NO2/c1-23-12-8-6-11(7-9-12)21-15-5-3-2-4-13(15)14(10-16(21)22)17(18,19)20/h6-10H,2-5H2,1H3
InChIKeyGCUZLHPKYHBQBZ-UHFFFAOYSA-N
MW323.31 g/mol
LogP3.74
Rot. Bonds2

About 1-(4-methoxyphenyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-one

1-(4-methoxyphenyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 44821229) has the molecular formula C17H16F3NO2 and a molecular weight of 323.31 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID44821229
Molecular FormulaC17H16F3NO2
Molecular Weight323.31 g/mol
Exact Mass323.11
IUPAC Name1-(4-methoxyphenyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCOc1ccc(-n2c3c(c(C(F)(F)F)cc2=O)CCCC3)cc1
InChIInChI=1S/C17H16F3NO2/c1-23-12-8-6-11(7-9-12)21-15-5-3-2-4-13(15)14(10-16(21)22)17(18,19)20/h6-10H,2-5H2,1H3
InChIKeyGCUZLHPKYHBQBZ-UHFFFAOYSA-N
XLogP3.74
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carbaldehyde
CID 58454912
4-(4-methoxyphenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one
CID 59636694
6-(1,1-difluorobut-3-enyl)-3-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione
CID 11522411
1-(4-methoxyphenyl)-4,6-dimethylpyrimidin-2-one
CID 612085
1-(4-methoxyphenyl)azepan-2-one
CID 66742326
1,4-bis(4-methoxyphenyl)piperazine-2,5-dione
CID 585094
8-(3,5-dimethoxyphenyl)-6-[5-fluoro-2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indolizin-5-one
CID 69161595
N-(1-hydroxy-2-methylpropan-2-yl)-1-(4-methoxyphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide
CID 23742174
7-[4-(aminomethyl)phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-5,6-dihydro-4H-pyrazolo[5,4-c]azepin-8-one
CID 22086932
1-(4-methoxyphenyl)-4,6-dimethylpyrimidin-2-one;hydrochloride
CID 5337650
1-[4-methoxy-3-(trifluoromethyl)phenyl]pyrrolidine
CID 168512080
3-(4-methoxyphenyl)-2-(trifluoromethyl)quinazolin-4-one
CID 3970898

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 1-(4-methoxyphenyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-one (CID 44821229) is 1-(4-methoxyphenyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 1-(4-methoxyphenyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-one is COc1ccc(-n2c3c(c(C(F)(F)F)cc2=O)CCCC3)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is GCUZLHPKYHBQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO2/c1-23-12-8-6-11(7-9-12)21-15-5-3-2-4-13(15)14(10-16(21)22)17(18,19)20/h6-10H,2-5H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-one?
1-(4-methoxyphenyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 323.31 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 44821229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).