4-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one

C22H20F3NO2 — CID 11429133

IUPAC4-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one
SMILESCC1=C2CCc3cc(OCc4ccc(C(F)(F)F)cc4)ccc3N2CCC1=O
InChIInChI=1S/C22H20F3NO2/c1-14-19-8-4-16-12-18(7-9-20(16)26(19)11-10-21(14)27)28-13-15-2-5-17(6-3-15)22(23,24)25/h2-3,5-7,9,12H,4,8,10-11,13H2,1H3
InChIKeyOGCZNWZGLDLKML-UHFFFAOYSA-N
MW387.40 g/mol
LogP5.28
Rot. Bonds3

About 4-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one

4-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one (PubChem CID 11429133) has the molecular formula C22H20F3NO2 and a molecular weight of 387.40 g/mol. Its IUPAC name is 4-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one.

Molecular Properties

Compound Name4-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one
PubChem CID11429133
Molecular FormulaC22H20F3NO2
Molecular Weight387.40 g/mol
Exact Mass387.14
IUPAC Name4-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one
SMILESCC1=C2CCc3cc(OCc4ccc(C(F)(F)F)cc4)ccc3N2CCC1=O
InChIInChI=1S/C22H20F3NO2/c1-14-19-8-4-16-12-18(7-9-20(16)26(19)11-10-21(14)27)28-13-15-2-5-17(6-3-15)22(23,24)25/h2-3,5-7,9,12H,4,8,10-11,13H2,1H3
InChIKeyOGCZNWZGLDLKML-UHFFFAOYSA-N
XLogP5.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.40
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one?
The IUPAC name of 4-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one (CID 11429133) is 4-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one.
What is the SMILES notation for 4-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one?
The canonical SMILES for 4-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one is CC1=C2CCc3cc(OCc4ccc(C(F)(F)F)cc4)ccc3N2CCC1=O.
What is the InChIKey of 4-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one?
The InChIKey is OGCZNWZGLDLKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3NO2/c1-14-19-8-4-16-12-18(7-9-20(16)26(19)11-10-21(14)27)28-13-15-2-5-17(6-3-15)22(23,24)25/h2-3,5-7,9,12H,4,8,10-11,13H2,1H3.
What are the key properties of 4-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one?
4-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one has a molecular weight of 387.40 g/mol, XLogP of 5.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one is sourced from PubChem (CID 11429133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).