2-(4-cyclopropylpiperazin-1-yl)-6-(trifluoromethyl)quinoline

C17H18F3N3 — CID 11486222

IUPAC2-(4-cyclopropylpiperazin-1-yl)-6-(trifluoromethyl)quinoline
SMILESFC(F)(F)c1ccc2nc(N3CCN(C4CC4)CC3)ccc2c1
InChIInChI=1S/C17H18F3N3/c18-17(19,20)13-2-5-15-12(11-13)1-6-16(21-15)23-9-7-22(8-10-23)14-3-4-14/h1-2,5-6,11,14H,3-4,7-10H2
InChIKeyMHWHBMVPYRSQGR-UHFFFAOYSA-N
MW321.35 g/mol
LogP3.54
Rot. Bonds2

About 2-(4-cyclopropylpiperazin-1-yl)-6-(trifluoromethyl)quinoline

2-(4-cyclopropylpiperazin-1-yl)-6-(trifluoromethyl)quinoline (PubChem CID 11486222) has the molecular formula C17H18F3N3 and a molecular weight of 321.35 g/mol. Its IUPAC name is 2-(4-cyclopropylpiperazin-1-yl)-6-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name2-(4-cyclopropylpiperazin-1-yl)-6-(trifluoromethyl)quinoline
PubChem CID11486222
Molecular FormulaC17H18F3N3
Molecular Weight321.35 g/mol
Exact Mass321.15
IUPAC Name2-(4-cyclopropylpiperazin-1-yl)-6-(trifluoromethyl)quinoline
SMILESFC(F)(F)c1ccc2nc(N3CCN(C4CC4)CC3)ccc2c1
InChIInChI=1S/C17H18F3N3/c18-17(19,20)13-2-5-15-12(11-13)1-6-16(21-15)23-9-7-22(8-10-23)14-3-4-14/h1-2,5-6,11,14H,3-4,7-10H2
InChIKeyMHWHBMVPYRSQGR-UHFFFAOYSA-N
XLogP3.54
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylpiperazin-1-yl)-6-(trifluoromethyl)quinoline?
The IUPAC name of 2-(4-cyclopropylpiperazin-1-yl)-6-(trifluoromethyl)quinoline (CID 11486222) is 2-(4-cyclopropylpiperazin-1-yl)-6-(trifluoromethyl)quinoline.
What is the SMILES notation for 2-(4-cyclopropylpiperazin-1-yl)-6-(trifluoromethyl)quinoline?
The canonical SMILES for 2-(4-cyclopropylpiperazin-1-yl)-6-(trifluoromethyl)quinoline is FC(F)(F)c1ccc2nc(N3CCN(C4CC4)CC3)ccc2c1.
What is the InChIKey of 2-(4-cyclopropylpiperazin-1-yl)-6-(trifluoromethyl)quinoline?
The InChIKey is MHWHBMVPYRSQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3/c18-17(19,20)13-2-5-15-12(11-13)1-6-16(21-15)23-9-7-22(8-10-23)14-3-4-14/h1-2,5-6,11,14H,3-4,7-10H2.
What are the key properties of 2-(4-cyclopropylpiperazin-1-yl)-6-(trifluoromethyl)quinoline?
2-(4-cyclopropylpiperazin-1-yl)-6-(trifluoromethyl)quinoline has a molecular weight of 321.35 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylpiperazin-1-yl)-6-(trifluoromethyl)quinoline is sourced from PubChem (CID 11486222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).