8-fluoro-6-[5-(2-fluorophenyl)-1,2,4-triazin-6-yl]-4-methylquinoline

C19H12F2N4 — CID 166666172

IUPAC8-fluoro-6-[5-(2-fluorophenyl)-1,2,4-triazin-6-yl]-4-methylquinoline
SMILESCc1ccnc2c(F)cc(-c3nncnc3-c3ccccc3F)cc12
InChIInChI=1S/C19H12F2N4/c1-11-6-7-22-18-14(11)8-12(9-16(18)21)17-19(23-10-24-25-17)13-4-2-3-5-15(13)20/h2-10H,1H3
InChIKeyADGMOFTWVCMPMJ-UHFFFAOYSA-N
MW334.33 g/mol
LogP4.34
Rot. Bonds2

About 8-fluoro-6-[5-(2-fluorophenyl)-1,2,4-triazin-6-yl]-4-methylquinoline

8-fluoro-6-[5-(2-fluorophenyl)-1,2,4-triazin-6-yl]-4-methylquinoline (PubChem CID 166666172) has the molecular formula C19H12F2N4 and a molecular weight of 334.33 g/mol. Its IUPAC name is 8-fluoro-6-[5-(2-fluorophenyl)-1,2,4-triazin-6-yl]-4-methylquinoline.

Molecular Properties

Compound Name8-fluoro-6-[5-(2-fluorophenyl)-1,2,4-triazin-6-yl]-4-methylquinoline
PubChem CID166666172
Molecular FormulaC19H12F2N4
Molecular Weight334.33 g/mol
Exact Mass334.10
IUPAC Name8-fluoro-6-[5-(2-fluorophenyl)-1,2,4-triazin-6-yl]-4-methylquinoline
SMILESCc1ccnc2c(F)cc(-c3nncnc3-c3ccccc3F)cc12
InChIInChI=1S/C19H12F2N4/c1-11-6-7-22-18-14(11)8-12(9-16(18)21)17-19(23-10-24-25-17)13-4-2-3-5-15(13)20/h2-10H,1H3
InChIKeyADGMOFTWVCMPMJ-UHFFFAOYSA-N
XLogP4.34
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(Difluoro(6-(1-methyl-1H-pyrazol-4-yl)-1,2,4-triazolo(4,3-b)pyridazin-3-yl)methyl)quinoline
CID 46911863
3-(2-Pyridyl)-5,6-diphenyl-1,2,4-triazine
CID 70588
6-[Difluoro-[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline
CID 127045762
6-((6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl)methyl)quinoline
CID 44206063
(R)-2-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 11581252
6-[[5-(1-Methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
CID 24851730
6-[Difluoro-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline
CID 57338725
N-(2,6-difluorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
CID 57400854
3-(6-Quinolylmethyl)-6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 57405871
3-(6-Quinolylmethyl)-6-[(1-methyl)-4-pyrazolyl][1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 57405875
6-[(1S)-1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]quinoline
CID 59341847
6-[[8-Fluoro-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]quinoline
CID 71666369

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-6-[5-(2-fluorophenyl)-1,2,4-triazin-6-yl]-4-methylquinoline?
The IUPAC name of 8-fluoro-6-[5-(2-fluorophenyl)-1,2,4-triazin-6-yl]-4-methylquinoline (CID 166666172) is 8-fluoro-6-[5-(2-fluorophenyl)-1,2,4-triazin-6-yl]-4-methylquinoline.
What is the SMILES notation for 8-fluoro-6-[5-(2-fluorophenyl)-1,2,4-triazin-6-yl]-4-methylquinoline?
The canonical SMILES for 8-fluoro-6-[5-(2-fluorophenyl)-1,2,4-triazin-6-yl]-4-methylquinoline is Cc1ccnc2c(F)cc(-c3nncnc3-c3ccccc3F)cc12.
What is the InChIKey of 8-fluoro-6-[5-(2-fluorophenyl)-1,2,4-triazin-6-yl]-4-methylquinoline?
The InChIKey is ADGMOFTWVCMPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2N4/c1-11-6-7-22-18-14(11)8-12(9-16(18)21)17-19(23-10-24-25-17)13-4-2-3-5-15(13)20/h2-10H,1H3.
What are the key properties of 8-fluoro-6-[5-(2-fluorophenyl)-1,2,4-triazin-6-yl]-4-methylquinoline?
8-fluoro-6-[5-(2-fluorophenyl)-1,2,4-triazin-6-yl]-4-methylquinoline has a molecular weight of 334.33 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-6-[5-(2-fluorophenyl)-1,2,4-triazin-6-yl]-4-methylquinoline is sourced from PubChem (CID 166666172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).