3-(4-methylpiperazin-1-yl)-5-phenyl-7-(trifluoromethyl)quinoline

C21H20F3N3 — CID 44581671

IUPAC3-(4-methylpiperazin-1-yl)-5-phenyl-7-(trifluoromethyl)quinoline
SMILESCN1CCN(c2cnc3cc(C(F)(F)F)cc(-c4ccccc4)c3c2)CC1
InChIInChI=1S/C21H20F3N3/c1-26-7-9-27(10-8-26)17-13-19-18(15-5-3-2-4-6-15)11-16(21(22,23)24)12-20(19)25-14-17/h2-6,11-14H,7-10H2,1H3
InChIKeyHNJPBQIQJGUESM-UHFFFAOYSA-N
MW371.41 g/mol
LogP4.67
Rot. Bonds2

About 3-(4-methylpiperazin-1-yl)-5-phenyl-7-(trifluoromethyl)quinoline

3-(4-methylpiperazin-1-yl)-5-phenyl-7-(trifluoromethyl)quinoline (PubChem CID 44581671) has the molecular formula C21H20F3N3 and a molecular weight of 371.41 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-5-phenyl-7-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-5-phenyl-7-(trifluoromethyl)quinoline
PubChem CID44581671
Molecular FormulaC21H20F3N3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Name3-(4-methylpiperazin-1-yl)-5-phenyl-7-(trifluoromethyl)quinoline
SMILESCN1CCN(c2cnc3cc(C(F)(F)F)cc(-c4ccccc4)c3c2)CC1
InChIInChI=1S/C21H20F3N3/c1-26-7-9-27(10-8-26)17-13-19-18(15-5-3-2-4-6-15)11-16(21(22,23)24)12-20(19)25-14-17/h2-6,11-14H,7-10H2,1H3
InChIKeyHNJPBQIQJGUESM-UHFFFAOYSA-N
XLogP4.67
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-5-phenyl-7-(trifluoromethyl)quinoline?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-5-phenyl-7-(trifluoromethyl)quinoline (CID 44581671) is 3-(4-methylpiperazin-1-yl)-5-phenyl-7-(trifluoromethyl)quinoline.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-5-phenyl-7-(trifluoromethyl)quinoline?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-5-phenyl-7-(trifluoromethyl)quinoline is CN1CCN(c2cnc3cc(C(F)(F)F)cc(-c4ccccc4)c3c2)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-5-phenyl-7-(trifluoromethyl)quinoline?
The InChIKey is HNJPBQIQJGUESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3/c1-26-7-9-27(10-8-26)17-13-19-18(15-5-3-2-4-6-15)11-16(21(22,23)24)12-20(19)25-14-17/h2-6,11-14H,7-10H2,1H3.
What are the key properties of 3-(4-methylpiperazin-1-yl)-5-phenyl-7-(trifluoromethyl)quinoline?
3-(4-methylpiperazin-1-yl)-5-phenyl-7-(trifluoromethyl)quinoline has a molecular weight of 371.41 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-5-phenyl-7-(trifluoromethyl)quinoline is sourced from PubChem (CID 44581671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).