imino-[8-methyl-2-(trifluoromethyl)quinolin-4-yl]iminoazanium

C11H8F3N4+ — CID 6332670

IUPACimino-[8-methyl-2-(trifluoromethyl)quinolin-4-yl]iminoazanium
SMILESCc1cccc2c(N=[N+]=N)cc(C(F)(F)F)nc12
InChIInChI=1S/C11H8F3N4/c1-6-3-2-4-7-8(17-18-15)5-9(11(12,13)14)16-10(6)7/h2-5,15H,1H3/q+1
InChIKeyJMHLBWAQKVIABF-UHFFFAOYSA-N
MW253.21 g/mol
LogP3.74
Rot. Bonds1

About imino-[8-methyl-2-(trifluoromethyl)quinolin-4-yl]iminoazanium

imino-[8-methyl-2-(trifluoromethyl)quinolin-4-yl]iminoazanium (PubChem CID 6332670) has the molecular formula C11H8F3N4+ and a molecular weight of 253.21 g/mol. Its IUPAC name is imino-[8-methyl-2-(trifluoromethyl)quinolin-4-yl]iminoazanium.

Molecular Properties

Compound Nameimino-[8-methyl-2-(trifluoromethyl)quinolin-4-yl]iminoazanium
PubChem CID6332670
Molecular FormulaC11H8F3N4+
Molecular Weight253.21 g/mol
Exact Mass253.07
IUPAC Nameimino-[8-methyl-2-(trifluoromethyl)quinolin-4-yl]iminoazanium
SMILESCc1cccc2c(N=[N+]=N)cc(C(F)(F)F)nc12
InChIInChI=1S/C11H8F3N4/c1-6-3-2-4-7-8(17-18-15)5-9(11(12,13)14)16-10(6)7/h2-5,15H,1H3/q+1
InChIKeyJMHLBWAQKVIABF-UHFFFAOYSA-N
XLogP3.74
TPSA63.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 53.74
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-(trifluoromethyl)quinolin-4-yl]iminoazanium
CID 6334146
N-methyl-2-[8-methyl-2-(trifluoromethyl)quinolin-4-yl]propan-1-amine
CID 91106134
2-tert-butyl-4,8-dimethylquinoline
CID 59432974
4-chloro-5,8-dimethyl-2-(trifluoromethyl)quinoline
CID 43668724
4-ethyl-2,8-bis(trifluoromethyl)quinoline
CID 88573891
4-(difluoromethyl)-8-methoxy-2-(trifluoromethyl)quinoline
CID 130247540
8-iodo-N-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 62203049
(1R)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol
CID 125493987
[2,8-bis(trifluoromethyl)quinolin-4-yl]-deuteriomethanol
CID 88591212
5-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 24947250
2-(2,8-dimethylquinolin-4-yl)acetic acid
CID 82447836
8-chloro-4-[[8-chloro-2-(trifluoromethyl)quinolin-4-yl]disulfanyl]-2-(trifluoromethyl)quinoline
CID 10414490

Frequently Asked Questions

What is the IUPAC name of imino-[8-methyl-2-(trifluoromethyl)quinolin-4-yl]iminoazanium?
The IUPAC name of imino-[8-methyl-2-(trifluoromethyl)quinolin-4-yl]iminoazanium (CID 6332670) is imino-[8-methyl-2-(trifluoromethyl)quinolin-4-yl]iminoazanium.
What is the SMILES notation for imino-[8-methyl-2-(trifluoromethyl)quinolin-4-yl]iminoazanium?
The canonical SMILES for imino-[8-methyl-2-(trifluoromethyl)quinolin-4-yl]iminoazanium is Cc1cccc2c(N=[N+]=N)cc(C(F)(F)F)nc12.
What is the InChIKey of imino-[8-methyl-2-(trifluoromethyl)quinolin-4-yl]iminoazanium?
The InChIKey is JMHLBWAQKVIABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N4/c1-6-3-2-4-7-8(17-18-15)5-9(11(12,13)14)16-10(6)7/h2-5,15H,1H3/q+1.
What are the key properties of imino-[8-methyl-2-(trifluoromethyl)quinolin-4-yl]iminoazanium?
imino-[8-methyl-2-(trifluoromethyl)quinolin-4-yl]iminoazanium has a molecular weight of 253.21 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for imino-[8-methyl-2-(trifluoromethyl)quinolin-4-yl]iminoazanium is sourced from PubChem (CID 6332670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).