4-[(2S)-2-methylpiperazin-1-yl]-8-(trifluoromethyl)quinoline

C15H16F3N3 — CID 167910941

IUPAC4-[(2S)-2-methylpiperazin-1-yl]-8-(trifluoromethyl)quinoline
SMILESC[C@H]1CNCCN1c1ccnc2c(C(F)(F)F)cccc12
InChIInChI=1S/C15H16F3N3/c1-10-9-19-7-8-21(10)13-5-6-20-14-11(13)3-2-4-12(14)15(16,17)18/h2-6,10,19H,7-9H2,1H3/t10-/m0/s1
InChIKeyMBLDNPSORFXLEF-JTQLQIEISA-N
MW295.31 g/mol
LogP3.05
Rot. Bonds1

About 4-[(2S)-2-methylpiperazin-1-yl]-8-(trifluoromethyl)quinoline

4-[(2S)-2-methylpiperazin-1-yl]-8-(trifluoromethyl)quinoline (PubChem CID 167910941) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is 4-[(2S)-2-methylpiperazin-1-yl]-8-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-[(2S)-2-methylpiperazin-1-yl]-8-(trifluoromethyl)quinoline
PubChem CID167910941
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name4-[(2S)-2-methylpiperazin-1-yl]-8-(trifluoromethyl)quinoline
SMILESC[C@H]1CNCCN1c1ccnc2c(C(F)(F)F)cccc12
InChIInChI=1S/C15H16F3N3/c1-10-9-19-7-8-21(10)13-5-6-20-14-11(13)3-2-4-12(14)15(16,17)18/h2-6,10,19H,7-9H2,1H3/t10-/m0/s1
InChIKeyMBLDNPSORFXLEF-JTQLQIEISA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(2S)-2-methylpiperazin-1-yl]-8-(trifluoromethyl)quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-methylpiperazin-1-yl]-8-(trifluoromethyl)quinoline?
The IUPAC name of 4-[(2S)-2-methylpiperazin-1-yl]-8-(trifluoromethyl)quinoline (CID 167910941) is 4-[(2S)-2-methylpiperazin-1-yl]-8-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-[(2S)-2-methylpiperazin-1-yl]-8-(trifluoromethyl)quinoline?
The canonical SMILES for 4-[(2S)-2-methylpiperazin-1-yl]-8-(trifluoromethyl)quinoline is C[C@H]1CNCCN1c1ccnc2c(C(F)(F)F)cccc12.
What is the InChIKey of 4-[(2S)-2-methylpiperazin-1-yl]-8-(trifluoromethyl)quinoline?
The InChIKey is MBLDNPSORFXLEF-JTQLQIEISA-N. The full InChI is InChI=1S/C15H16F3N3/c1-10-9-19-7-8-21(10)13-5-6-20-14-11(13)3-2-4-12(14)15(16,17)18/h2-6,10,19H,7-9H2,1H3/t10-/m0/s1.
What are the key properties of 4-[(2S)-2-methylpiperazin-1-yl]-8-(trifluoromethyl)quinoline?
4-[(2S)-2-methylpiperazin-1-yl]-8-(trifluoromethyl)quinoline has a molecular weight of 295.31 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-methylpiperazin-1-yl]-8-(trifluoromethyl)quinoline is sourced from PubChem (CID 167910941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).