5-[[2-propyl-4-[7-(trifluoromethyl)quinolin-4-yl]oxyphenyl]methyl]-1,3-oxazolidine-2,4-dione

C23H19F3N2O4 — CID 143665430

IUPAC5-[[2-propyl-4-[7-(trifluoromethyl)quinolin-4-yl]oxyphenyl]methyl]-1,3-oxazolidine-2,4-dione
SMILESCCCc1cc(Oc2ccnc3cc(C(F)(F)F)ccc23)ccc1CC1OC(=O)NC1=O
InChIInChI=1S/C23H19F3N2O4/c1-2-3-13-10-16(6-4-14(13)11-20-21(29)28-22(30)32-20)31-19-8-9-27-18-12-15(23(24,25)26)5-7-17(18)19/h4-10,12,20H,2-3,11H2,1H3,(H,28,29,30)
InChIKeyLFMPSCHOYGOPOF-UHFFFAOYSA-N
MW444.41 g/mol
LogP5.18
Rot. Bonds6

About 5-[[2-propyl-4-[7-(trifluoromethyl)quinolin-4-yl]oxyphenyl]methyl]-1,3-oxazolidine-2,4-dione

5-[[2-propyl-4-[7-(trifluoromethyl)quinolin-4-yl]oxyphenyl]methyl]-1,3-oxazolidine-2,4-dione (PubChem CID 143665430) has the molecular formula C23H19F3N2O4 and a molecular weight of 444.41 g/mol. Its IUPAC name is 5-[[2-propyl-4-[7-(trifluoromethyl)quinolin-4-yl]oxyphenyl]methyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[2-propyl-4-[7-(trifluoromethyl)quinolin-4-yl]oxyphenyl]methyl]-1,3-oxazolidine-2,4-dione
PubChem CID143665430
Molecular FormulaC23H19F3N2O4
Molecular Weight444.41 g/mol
Exact Mass444.13
IUPAC Name5-[[2-propyl-4-[7-(trifluoromethyl)quinolin-4-yl]oxyphenyl]methyl]-1,3-oxazolidine-2,4-dione
SMILESCCCc1cc(Oc2ccnc3cc(C(F)(F)F)ccc23)ccc1CC1OC(=O)NC1=O
InChIInChI=1S/C23H19F3N2O4/c1-2-3-13-10-16(6-4-14(13)11-20-21(29)28-22(30)32-20)31-19-8-9-27-18-12-15(23(24,25)26)5-7-17(18)19/h4-10,12,20H,2-3,11H2,1H3,(H,28,29,30)
InChIKeyLFMPSCHOYGOPOF-UHFFFAOYSA-N
XLogP5.18
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.41
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-propyl-4-[7-(trifluoromethyl)quinolin-4-yl]oxyphenyl]methyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5-[[2-propyl-4-[7-(trifluoromethyl)quinolin-4-yl]oxyphenyl]methyl]-1,3-oxazolidine-2,4-dione (CID 143665430) is 5-[[2-propyl-4-[7-(trifluoromethyl)quinolin-4-yl]oxyphenyl]methyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5-[[2-propyl-4-[7-(trifluoromethyl)quinolin-4-yl]oxyphenyl]methyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5-[[2-propyl-4-[7-(trifluoromethyl)quinolin-4-yl]oxyphenyl]methyl]-1,3-oxazolidine-2,4-dione is CCCc1cc(Oc2ccnc3cc(C(F)(F)F)ccc23)ccc1CC1OC(=O)NC1=O.
What is the InChIKey of 5-[[2-propyl-4-[7-(trifluoromethyl)quinolin-4-yl]oxyphenyl]methyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is LFMPSCHOYGOPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O4/c1-2-3-13-10-16(6-4-14(13)11-20-21(29)28-22(30)32-20)31-19-8-9-27-18-12-15(23(24,25)26)5-7-17(18)19/h4-10,12,20H,2-3,11H2,1H3,(H,28,29,30).
What are the key properties of 5-[[2-propyl-4-[7-(trifluoromethyl)quinolin-4-yl]oxyphenyl]methyl]-1,3-oxazolidine-2,4-dione?
5-[[2-propyl-4-[7-(trifluoromethyl)quinolin-4-yl]oxyphenyl]methyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 444.41 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-propyl-4-[7-(trifluoromethyl)quinolin-4-yl]oxyphenyl]methyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 143665430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).