imino-[8-(trifluoromethyl)quinolin-4-yl]iminoazanium

C10H6F3N4+ — CID 6334146

IUPACimino-[8-(trifluoromethyl)quinolin-4-yl]iminoazanium
SMILESN=[N+]=Nc1ccnc2c(C(F)(F)F)cccc12
InChIInChI=1S/C10H6F3N4/c11-10(12,13)7-3-1-2-6-8(16-17-14)4-5-15-9(6)7/h1-5,14H/q+1
InChIKeyVQEIMSVHYDGQFS-UHFFFAOYSA-N
MW239.18 g/mol
LogP3.44
Rot. Bonds1

About imino-[8-(trifluoromethyl)quinolin-4-yl]iminoazanium

imino-[8-(trifluoromethyl)quinolin-4-yl]iminoazanium (PubChem CID 6334146) has the molecular formula C10H6F3N4+ and a molecular weight of 239.18 g/mol. Its IUPAC name is imino-[8-(trifluoromethyl)quinolin-4-yl]iminoazanium.

Molecular Properties

Compound Nameimino-[8-(trifluoromethyl)quinolin-4-yl]iminoazanium
PubChem CID6334146
Molecular FormulaC10H6F3N4+
Molecular Weight239.18 g/mol
Exact Mass239.05
IUPAC Nameimino-[8-(trifluoromethyl)quinolin-4-yl]iminoazanium
SMILESN=[N+]=Nc1ccnc2c(C(F)(F)F)cccc12
InChIInChI=1S/C10H6F3N4/c11-10(12,13)7-3-1-2-6-8(16-17-14)4-5-15-9(6)7/h1-5,14H/q+1
InChIKeyVQEIMSVHYDGQFS-UHFFFAOYSA-N
XLogP3.44
TPSA63.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.18
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

imino-[8-methyl-2-(trifluoromethyl)quinolin-4-yl]iminoazanium
CID 6332670
4-butyl-8-(trifluoromethyl)quinoline
CID 90717731
4-[8-(trifluoromethyl)quinolin-4-yl]butan-1-amine
CID 20737628
4-methyl-8-(trifluoromethyl)quinolin-3-amine
CID 105483666
3-[8-(trifluoromethyl)quinolin-4-yl]oxyaniline
CID 54773198
[8-(trifluoromethyl)quinazolin-4-yl]methanamine
CID 105484372
N-(2,4-dimethylphenyl)-8-(trifluoromethyl)quinolin-4-amine
CID 43833157
1-methyl-8-(trifluoromethyl)isoquinoline
CID 125457545
5-nitroso-8-(trifluoromethyl)quinolin-6-ol
CID 15279328
4-(3-nitrophenyl)-8-(trifluoromethyl)quinoline
CID 174518716
1-[2-[[8-(trifluoromethyl)quinolin-4-yl]amino]phenyl]ethanone
CID 43833315
N-ethyl-3-[8-(trifluoromethyl)quinolin-4-yl]aniline
CID 174518869

Frequently Asked Questions

What is the IUPAC name of imino-[8-(trifluoromethyl)quinolin-4-yl]iminoazanium?
The IUPAC name of imino-[8-(trifluoromethyl)quinolin-4-yl]iminoazanium (CID 6334146) is imino-[8-(trifluoromethyl)quinolin-4-yl]iminoazanium.
What is the SMILES notation for imino-[8-(trifluoromethyl)quinolin-4-yl]iminoazanium?
The canonical SMILES for imino-[8-(trifluoromethyl)quinolin-4-yl]iminoazanium is N=[N+]=Nc1ccnc2c(C(F)(F)F)cccc12.
What is the InChIKey of imino-[8-(trifluoromethyl)quinolin-4-yl]iminoazanium?
The InChIKey is VQEIMSVHYDGQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N4/c11-10(12,13)7-3-1-2-6-8(16-17-14)4-5-15-9(6)7/h1-5,14H/q+1.
What are the key properties of imino-[8-(trifluoromethyl)quinolin-4-yl]iminoazanium?
imino-[8-(trifluoromethyl)quinolin-4-yl]iminoazanium has a molecular weight of 239.18 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for imino-[8-(trifluoromethyl)quinolin-4-yl]iminoazanium is sourced from PubChem (CID 6334146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).