6-methyl-4-piperazin-1-yl-2-(trifluoromethyl)quinoline

C15H16F3N3 — CID 2775690

IUPAC6-methyl-4-piperazin-1-yl-2-(trifluoromethyl)quinoline
SMILESCc1ccc2nc(C(F)(F)F)cc(N3CCNCC3)c2c1
InChIInChI=1S/C15H16F3N3/c1-10-2-3-12-11(8-10)13(21-6-4-19-5-7-21)9-14(20-12)15(16,17)18/h2-3,8-9,19H,4-7H2,1H3
InChIKeyZKHOZLXKYFBVMY-UHFFFAOYSA-N
MW295.31 g/mol
LogP2.97
Rot. Bonds1

About 6-methyl-4-piperazin-1-yl-2-(trifluoromethyl)quinoline

6-methyl-4-piperazin-1-yl-2-(trifluoromethyl)quinoline (PubChem CID 2775690) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is 6-methyl-4-piperazin-1-yl-2-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name6-methyl-4-piperazin-1-yl-2-(trifluoromethyl)quinoline
PubChem CID2775690
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name6-methyl-4-piperazin-1-yl-2-(trifluoromethyl)quinoline
SMILESCc1ccc2nc(C(F)(F)F)cc(N3CCNCC3)c2c1
InChIInChI=1S/C15H16F3N3/c1-10-2-3-12-11(8-10)13(21-6-4-19-5-7-21)9-14(20-12)15(16,17)18/h2-3,8-9,19H,4-7H2,1H3
InChIKeyZKHOZLXKYFBVMY-UHFFFAOYSA-N
XLogP2.97
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-piperazin-1-yl-2-(trifluoromethyl)quinoline?
The IUPAC name of 6-methyl-4-piperazin-1-yl-2-(trifluoromethyl)quinoline (CID 2775690) is 6-methyl-4-piperazin-1-yl-2-(trifluoromethyl)quinoline.
What is the SMILES notation for 6-methyl-4-piperazin-1-yl-2-(trifluoromethyl)quinoline?
The canonical SMILES for 6-methyl-4-piperazin-1-yl-2-(trifluoromethyl)quinoline is Cc1ccc2nc(C(F)(F)F)cc(N3CCNCC3)c2c1.
What is the InChIKey of 6-methyl-4-piperazin-1-yl-2-(trifluoromethyl)quinoline?
The InChIKey is ZKHOZLXKYFBVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3/c1-10-2-3-12-11(8-10)13(21-6-4-19-5-7-21)9-14(20-12)15(16,17)18/h2-3,8-9,19H,4-7H2,1H3.
What are the key properties of 6-methyl-4-piperazin-1-yl-2-(trifluoromethyl)quinoline?
6-methyl-4-piperazin-1-yl-2-(trifluoromethyl)quinoline has a molecular weight of 295.31 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-piperazin-1-yl-2-(trifluoromethyl)quinoline is sourced from PubChem (CID 2775690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).