6-fluoro-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)quinoline

C15H15F4N3 — CID 2823580

IUPAC6-fluoro-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)quinoline
SMILESCN1CCN(c2cc(C(F)(F)F)nc3ccc(F)cc23)CC1
InChIInChI=1S/C15H15F4N3/c1-21-4-6-22(7-5-21)13-9-14(15(17,18)19)20-12-3-2-10(16)8-11(12)13/h2-3,8-9H,4-7H2,1H3
InChIKeyBYGZAZCPGUDAQG-UHFFFAOYSA-N
MW313.30 g/mol
LogP3.14
Rot. Bonds1

About 6-fluoro-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)quinoline

6-fluoro-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)quinoline (PubChem CID 2823580) has the molecular formula C15H15F4N3 and a molecular weight of 313.30 g/mol. Its IUPAC name is 6-fluoro-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name6-fluoro-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)quinoline
PubChem CID2823580
Molecular FormulaC15H15F4N3
Molecular Weight313.30 g/mol
Exact Mass313.12
IUPAC Name6-fluoro-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)quinoline
SMILESCN1CCN(c2cc(C(F)(F)F)nc3ccc(F)cc23)CC1
InChIInChI=1S/C15H15F4N3/c1-21-4-6-22(7-5-21)13-9-14(15(17,18)19)20-12-3-2-10(16)8-11(12)13/h2-3,8-9H,4-7H2,1H3
InChIKeyBYGZAZCPGUDAQG-UHFFFAOYSA-N
XLogP3.14
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.30
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)quinoline?
The IUPAC name of 6-fluoro-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)quinoline (CID 2823580) is 6-fluoro-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)quinoline.
What is the SMILES notation for 6-fluoro-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)quinoline?
The canonical SMILES for 6-fluoro-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)quinoline is CN1CCN(c2cc(C(F)(F)F)nc3ccc(F)cc23)CC1.
What is the InChIKey of 6-fluoro-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)quinoline?
The InChIKey is BYGZAZCPGUDAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F4N3/c1-21-4-6-22(7-5-21)13-9-14(15(17,18)19)20-12-3-2-10(16)8-11(12)13/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 6-fluoro-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)quinoline?
6-fluoro-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)quinoline has a molecular weight of 313.30 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)quinoline is sourced from PubChem (CID 2823580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).