1-[2-(3-hydroxyphenyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one

C20H19F3N2O2 — CID 11326353

IUPAC1-[2-(3-hydroxyphenyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1C1CC(c2cccc(O)c2)Nc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C20H19F3N2O2/c21-20(22,23)13-6-7-16-15(10-13)18(25-8-2-5-19(25)27)11-17(24-16)12-3-1-4-14(26)9-12/h1,3-4,6-7,9-10,17-18,24,26H,2,5,8,11H2
InChIKeySYRMELUFOMNTNE-UHFFFAOYSA-N
MW376.38 g/mol
LogP4.63
Rot. Bonds2

About 1-[2-(3-hydroxyphenyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one

1-[2-(3-hydroxyphenyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one (PubChem CID 11326353) has the molecular formula C20H19F3N2O2 and a molecular weight of 376.38 g/mol. Its IUPAC name is 1-[2-(3-hydroxyphenyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(3-hydroxyphenyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one
PubChem CID11326353
Molecular FormulaC20H19F3N2O2
Molecular Weight376.38 g/mol
Exact Mass376.14
IUPAC Name1-[2-(3-hydroxyphenyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1C1CC(c2cccc(O)c2)Nc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C20H19F3N2O2/c21-20(22,23)13-6-7-16-15(10-13)18(25-8-2-5-19(25)27)11-17(24-16)12-3-1-4-14(26)9-12/h1,3-4,6-7,9-10,17-18,24,26H,2,5,8,11H2
InChIKeySYRMELUFOMNTNE-UHFFFAOYSA-N
XLogP4.63
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-hydroxyphenyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(3-hydroxyphenyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one (CID 11326353) is 1-[2-(3-hydroxyphenyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(3-hydroxyphenyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(3-hydroxyphenyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one is O=C1CCCN1C1CC(c2cccc(O)c2)Nc2ccc(C(F)(F)F)cc21.
What is the InChIKey of 1-[2-(3-hydroxyphenyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one?
The InChIKey is SYRMELUFOMNTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O2/c21-20(22,23)13-6-7-16-15(10-13)18(25-8-2-5-19(25)27)11-17(24-16)12-3-1-4-14(26)9-12/h1,3-4,6-7,9-10,17-18,24,26H,2,5,8,11H2.
What are the key properties of 1-[2-(3-hydroxyphenyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one?
1-[2-(3-hydroxyphenyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one has a molecular weight of 376.38 g/mol, XLogP of 4.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-hydroxyphenyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 11326353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).