N-(2,3-dimethylindazol-6-yl)-N-methyl-2-(trifluoromethyl)quinolin-4-amine

C20H17F3N4 — CID 176907701

IUPACN-(2,3-dimethylindazol-6-yl)-N-methyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCc1c2ccc(N(C)c3cc(C(F)(F)F)nc4ccccc34)cc2nn1C
InChIInChI=1S/C20H17F3N4/c1-12-14-9-8-13(10-17(14)25-27(12)3)26(2)18-11-19(20(21,22)23)24-16-7-5-4-6-15(16)18/h4-11H,1-3H3
InChIKeyHUGHUMRMDQSOSC-UHFFFAOYSA-N
MW370.38 g/mol
LogP5.22
Rot. Bonds2

About N-(2,3-dimethylindazol-6-yl)-N-methyl-2-(trifluoromethyl)quinolin-4-amine

N-(2,3-dimethylindazol-6-yl)-N-methyl-2-(trifluoromethyl)quinolin-4-amine (PubChem CID 176907701) has the molecular formula C20H17F3N4 and a molecular weight of 370.38 g/mol. Its IUPAC name is N-(2,3-dimethylindazol-6-yl)-N-methyl-2-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound NameN-(2,3-dimethylindazol-6-yl)-N-methyl-2-(trifluoromethyl)quinolin-4-amine
PubChem CID176907701
Molecular FormulaC20H17F3N4
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC NameN-(2,3-dimethylindazol-6-yl)-N-methyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCc1c2ccc(N(C)c3cc(C(F)(F)F)nc4ccccc34)cc2nn1C
InChIInChI=1S/C20H17F3N4/c1-12-14-9-8-13(10-17(14)25-27(12)3)26(2)18-11-19(20(21,22)23)24-16-7-5-4-6-15(16)18/h4-11H,1-3H3
InChIKeyHUGHUMRMDQSOSC-UHFFFAOYSA-N
XLogP5.22
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.38
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]quinazolin-2-yl]amino]propan-1-ol
CID 176907723
2,3-dimethylindazole;ethane
CID 142199070
4-chloro-2-(trifluoromethyl)quinoline
CID 2736709
[4-(N,4-dimethylanilino)quinolin-2-yl]methanol
CID 63375751
2-methyl-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]propanamide
CID 167099516
4-ethenoxy-2-(trifluoromethyl)quinoline
CID 162552111
4-nitro-2-(trifluoromethyl)quinoline
CID 19034696
1-(2,3-dimethylindazol-6-yl)-1-(4-sulfamoylphenyl)urea
CID 174717823
N,2-dimethyl-N-(1-methylbenzotriazol-5-yl)quinazolin-4-amine
CID 59648370
3-[methyl-(2-methylquinolin-4-yl)amino]benzonitrile
CID 62980889
2-methyl-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]pyridine-4-carboxamide
CID 167099514
N-iodo-2-(trifluoromethyl)quinolin-4-amine
CID 163228874

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylindazol-6-yl)-N-methyl-2-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of N-(2,3-dimethylindazol-6-yl)-N-methyl-2-(trifluoromethyl)quinolin-4-amine (CID 176907701) is N-(2,3-dimethylindazol-6-yl)-N-methyl-2-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for N-(2,3-dimethylindazol-6-yl)-N-methyl-2-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for N-(2,3-dimethylindazol-6-yl)-N-methyl-2-(trifluoromethyl)quinolin-4-amine is Cc1c2ccc(N(C)c3cc(C(F)(F)F)nc4ccccc34)cc2nn1C.
What is the InChIKey of N-(2,3-dimethylindazol-6-yl)-N-methyl-2-(trifluoromethyl)quinolin-4-amine?
The InChIKey is HUGHUMRMDQSOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4/c1-12-14-9-8-13(10-17(14)25-27(12)3)26(2)18-11-19(20(21,22)23)24-16-7-5-4-6-15(16)18/h4-11H,1-3H3.
What are the key properties of N-(2,3-dimethylindazol-6-yl)-N-methyl-2-(trifluoromethyl)quinolin-4-amine?
N-(2,3-dimethylindazol-6-yl)-N-methyl-2-(trifluoromethyl)quinolin-4-amine has a molecular weight of 370.38 g/mol, XLogP of 5.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylindazol-6-yl)-N-methyl-2-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 176907701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).