4-methyl-2-(4-methylpiperazin-1-yl)quinoline;bis(2,2,2-trifluoroacetic acid)

C19H21F6N3O4 — CID 46259333

IUPAC4-methyl-2-(4-methylpiperazin-1-yl)quinoline;bis(2,2,2-trifluoroacetic acid)
SMILESCc1cc(N2CCN(C)CC2)nc2ccccc12.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C15H19N3.2C2HF3O2/c1-12-11-15(18-9-7-17(2)8-10-18)16-14-6-4-3-5-13(12)14;2*3-2(4,5)1(6)7/h3-6,11H,7-10H2,1-2H3;2*(H,6,7)
InChIKeyXRKKRNOTQRZHFX-UHFFFAOYSA-N
MW469.38 g/mol
LogP3.56
Rot. Bonds1

About 4-methyl-2-(4-methylpiperazin-1-yl)quinoline;bis(2,2,2-trifluoroacetic acid)

4-methyl-2-(4-methylpiperazin-1-yl)quinoline;bis(2,2,2-trifluoroacetic acid) (PubChem CID 46259333) has the molecular formula C19H21F6N3O4 and a molecular weight of 469.38 g/mol. Its IUPAC name is 4-methyl-2-(4-methylpiperazin-1-yl)quinoline;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name4-methyl-2-(4-methylpiperazin-1-yl)quinoline;bis(2,2,2-trifluoroacetic acid)
PubChem CID46259333
Molecular FormulaC19H21F6N3O4
Molecular Weight469.38 g/mol
Exact Mass469.14
IUPAC Name4-methyl-2-(4-methylpiperazin-1-yl)quinoline;bis(2,2,2-trifluoroacetic acid)
SMILESCc1cc(N2CCN(C)CC2)nc2ccccc12.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C15H19N3.2C2HF3O2/c1-12-11-15(18-9-7-17(2)8-10-18)16-14-6-4-3-5-13(12)14;2*3-2(4,5)1(6)7/h3-6,11H,7-10H2,1-2H3;2*(H,6,7)
InChIKeyXRKKRNOTQRZHFX-UHFFFAOYSA-N
XLogP3.56
TPSA93.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.38
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Quipazine Maleate
CID 5702242
4-Methyl-2-(1-piperidinyl)quinoline
CID 230710
4-Methyl-2-piperazin-1-yl-quinoline
CID 598754
N-Methylquipazine
CID 5013
6-(4-Methyl-piperazin-1-yl)-phenanthridine
CID 9993659
2-(4-Propyl-piperazin-1-yl)-quinoline
CID 11370427
(4-Quinolin-2-ylpiperazin-1-yl)acetic Acid
CID 715494
2-[4-(1-Ethyl-propyl)-piperazin-1-yl]-quinoline
CID 11314275
2-(4-Cyclopropyl-piperazin-1-yl)-quinoline
CID 11324846
2-(4-Cyclopentylpiperazin-1-yl)quinoline
CID 11337173
2-(4-Isopropyl-piperazin-1-yl)-quinoline
CID 11393294
N,N-diethyl-4-methylquinolin-2-amine
CID 685004

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-methylpiperazin-1-yl)quinoline;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 4-methyl-2-(4-methylpiperazin-1-yl)quinoline;bis(2,2,2-trifluoroacetic acid) (CID 46259333) is 4-methyl-2-(4-methylpiperazin-1-yl)quinoline;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 4-methyl-2-(4-methylpiperazin-1-yl)quinoline;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 4-methyl-2-(4-methylpiperazin-1-yl)quinoline;bis(2,2,2-trifluoroacetic acid) is Cc1cc(N2CCN(C)CC2)nc2ccccc12.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 4-methyl-2-(4-methylpiperazin-1-yl)quinoline;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is XRKKRNOTQRZHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3.2C2HF3O2/c1-12-11-15(18-9-7-17(2)8-10-18)16-14-6-4-3-5-13(12)14;2*3-2(4,5)1(6)7/h3-6,11H,7-10H2,1-2H3;2*(H,6,7).
What are the key properties of 4-methyl-2-(4-methylpiperazin-1-yl)quinoline;bis(2,2,2-trifluoroacetic acid)?
4-methyl-2-(4-methylpiperazin-1-yl)quinoline;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 469.38 g/mol, XLogP of 3.56, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methylpiperazin-1-yl)quinoline;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 46259333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).