1-quinolin-8-yl-4-[2-[3-(trifluoromethyl)phenyl]ethyl]azetidin-2-one

C21H17F3N2O — CID 162464522

IUPAC1-quinolin-8-yl-4-[2-[3-(trifluoromethyl)phenyl]ethyl]azetidin-2-one
SMILESO=C1CC(CCc2cccc(C(F)(F)F)c2)N1c1cccc2cccnc12
InChIInChI=1S/C21H17F3N2O/c22-21(23,24)16-7-1-4-14(12-16)9-10-17-13-19(27)26(17)18-8-2-5-15-6-3-11-25-20(15)18/h1-8,11-12,17H,9-10,13H2
InChIKeyXATICZJJRIEFEO-UHFFFAOYSA-N
MW370.37 g/mol
LogP4.99
Rot. Bonds4

About 1-quinolin-8-yl-4-[2-[3-(trifluoromethyl)phenyl]ethyl]azetidin-2-one

1-quinolin-8-yl-4-[2-[3-(trifluoromethyl)phenyl]ethyl]azetidin-2-one (PubChem CID 162464522) has the molecular formula C21H17F3N2O and a molecular weight of 370.37 g/mol. Its IUPAC name is 1-quinolin-8-yl-4-[2-[3-(trifluoromethyl)phenyl]ethyl]azetidin-2-one.

Molecular Properties

Compound Name1-quinolin-8-yl-4-[2-[3-(trifluoromethyl)phenyl]ethyl]azetidin-2-one
PubChem CID162464522
Molecular FormulaC21H17F3N2O
Molecular Weight370.37 g/mol
Exact Mass370.13
IUPAC Name1-quinolin-8-yl-4-[2-[3-(trifluoromethyl)phenyl]ethyl]azetidin-2-one
SMILESO=C1CC(CCc2cccc(C(F)(F)F)c2)N1c1cccc2cccnc12
InChIInChI=1S/C21H17F3N2O/c22-21(23,24)16-7-1-4-14(12-16)9-10-17-13-19(27)26(17)18-8-2-5-15-6-3-11-25-20(15)18/h1-8,11-12,17H,9-10,13H2
InChIKeyXATICZJJRIEFEO-UHFFFAOYSA-N
XLogP4.99
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-quinolin-8-yl-4-[2-[3-(trifluoromethyl)phenyl]ethyl]azetidin-2-one?
The IUPAC name of 1-quinolin-8-yl-4-[2-[3-(trifluoromethyl)phenyl]ethyl]azetidin-2-one (CID 162464522) is 1-quinolin-8-yl-4-[2-[3-(trifluoromethyl)phenyl]ethyl]azetidin-2-one.
What is the SMILES notation for 1-quinolin-8-yl-4-[2-[3-(trifluoromethyl)phenyl]ethyl]azetidin-2-one?
The canonical SMILES for 1-quinolin-8-yl-4-[2-[3-(trifluoromethyl)phenyl]ethyl]azetidin-2-one is O=C1CC(CCc2cccc(C(F)(F)F)c2)N1c1cccc2cccnc12.
What is the InChIKey of 1-quinolin-8-yl-4-[2-[3-(trifluoromethyl)phenyl]ethyl]azetidin-2-one?
The InChIKey is XATICZJJRIEFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O/c22-21(23,24)16-7-1-4-14(12-16)9-10-17-13-19(27)26(17)18-8-2-5-15-6-3-11-25-20(15)18/h1-8,11-12,17H,9-10,13H2.
What are the key properties of 1-quinolin-8-yl-4-[2-[3-(trifluoromethyl)phenyl]ethyl]azetidin-2-one?
1-quinolin-8-yl-4-[2-[3-(trifluoromethyl)phenyl]ethyl]azetidin-2-one has a molecular weight of 370.37 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-8-yl-4-[2-[3-(trifluoromethyl)phenyl]ethyl]azetidin-2-one is sourced from PubChem (CID 162464522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).