3-[3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]phenol

C20H19F3N4O — CID 25113181

IUPAC3-[3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]phenol
SMILESCN1CCN(c2cnc3cc(C(F)(F)F)cc(-c4cccc(O)c4)c3n2)CC1
InChIInChI=1S/C20H19F3N4O/c1-26-5-7-27(8-6-26)18-12-24-17-11-14(20(21,22)23)10-16(19(17)25-18)13-3-2-4-15(28)9-13/h2-4,9-12,28H,5-8H2,1H3
InChIKeyQNCYYRHIUFGGJX-UHFFFAOYSA-N
MW388.39 g/mol
LogP3.77
Rot. Bonds2

About 3-[3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]phenol

3-[3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]phenol (PubChem CID 25113181) has the molecular formula C20H19F3N4O and a molecular weight of 388.39 g/mol. Its IUPAC name is 3-[3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]phenol.

Molecular Properties

Compound Name3-[3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]phenol
PubChem CID25113181
Molecular FormulaC20H19F3N4O
Molecular Weight388.39 g/mol
Exact Mass388.15
IUPAC Name3-[3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]phenol
SMILESCN1CCN(c2cnc3cc(C(F)(F)F)cc(-c4cccc(O)c4)c3n2)CC1
InChIInChI=1S/C20H19F3N4O/c1-26-5-7-27(8-6-26)18-12-24-17-11-14(20(21,22)23)10-16(19(17)25-18)13-3-2-4-15(28)9-13/h2-4,9-12,28H,5-8H2,1H3
InChIKeyQNCYYRHIUFGGJX-UHFFFAOYSA-N
XLogP3.77
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

11-Butyl-2-methyl-3-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-ol
CID 9803626
3-[7-(3-Hydroxyphenyl)pteridin-6-yl]phenol
CID 17755300
7-((2-(4-(Isoquinolin-1-yl)piperazin-1-yl)ethyl)(propyl)amino)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 45486341
2-[2-(4-Methyl-piperazin-1-yl)-3-vinyl-quinolin-4-yl]-phenol
CID 136109175
4-[2-amino-8-[[(3S)-1-methylpiperidin-3-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluorophenol
CID 166633169
2-Methyl-1-{2-[4-(4-methyl-pyridin-2-yl)-piperazin-1-yl]-ethyl}-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-ol
CID 10475519
4-[4-Phenyl-6-(propyl-pyridin-2-ylmethyl-amino)-pyridin-2-yl]-phenol
CID 135529495
2-[3-[3-[3-Methoxy-5-(trifluoromethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]quinoline
CID 58546808
3-[3-(1-Quinolin-2-ylazetidin-3-yl)quinoxalin-2-yl]phenol
CID 58547139
6-[2-(4-Methylpiperazino)-4-pyridyl]quinolin-8-ol
CID 44142411
6-(6-Piperidin-1-yl-3-pyridinyl)quinolin-8-ol;2,2,2-trifluoroacetic acid
CID 44143210
3-[3-(4-Methylpiperazin-4-ium-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]phenol
CID 44629738

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]phenol?
The IUPAC name of 3-[3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]phenol (CID 25113181) is 3-[3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]phenol.
What is the SMILES notation for 3-[3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]phenol?
The canonical SMILES for 3-[3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]phenol is CN1CCN(c2cnc3cc(C(F)(F)F)cc(-c4cccc(O)c4)c3n2)CC1.
What is the InChIKey of 3-[3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]phenol?
The InChIKey is QNCYYRHIUFGGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O/c1-26-5-7-27(8-6-26)18-12-24-17-11-14(20(21,22)23)10-16(19(17)25-18)13-3-2-4-15(28)9-13/h2-4,9-12,28H,5-8H2,1H3.
What are the key properties of 3-[3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]phenol?
3-[3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]phenol has a molecular weight of 388.39 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]phenol is sourced from PubChem (CID 25113181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).