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

C19H12F2N4 — CID 166666155

IUPAC8-fluoro-6-[5-(4-fluorophenyl)-1,2,4-triazin-6-yl]-4-methylquinoline
SMILESCc1ccnc2c(F)cc(-c3nncnc3-c3ccc(F)cc3)cc12
InChIInChI=1S/C19H12F2N4/c1-11-6-7-22-19-15(11)8-13(9-16(19)21)18-17(23-10-24-25-18)12-2-4-14(20)5-3-12/h2-10H,1H3
InChIKeyVVPIMDLNMDTHTF-UHFFFAOYSA-N
MW334.33 g/mol
LogP4.34
Rot. Bonds2

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

8-fluoro-6-[5-(4-fluorophenyl)-1,2,4-triazin-6-yl]-4-methylquinoline (PubChem CID 166666155) has the molecular formula C19H12F2N4 and a molecular weight of 334.33 g/mol. Its IUPAC name is 8-fluoro-6-[5-(4-fluorophenyl)-1,2,4-triazin-6-yl]-4-methylquinoline.

Molecular Properties

Compound Name8-fluoro-6-[5-(4-fluorophenyl)-1,2,4-triazin-6-yl]-4-methylquinoline
PubChem CID166666155
Molecular FormulaC19H12F2N4
Molecular Weight334.33 g/mol
Exact Mass334.10
IUPAC Name8-fluoro-6-[5-(4-fluorophenyl)-1,2,4-triazin-6-yl]-4-methylquinoline
SMILESCc1ccnc2c(F)cc(-c3nncnc3-c3ccc(F)cc3)cc12
InChIInChI=1S/C19H12F2N4/c1-11-6-7-22-19-15(11)8-13(9-16(19)21)18-17(23-10-24-25-18)12-2-4-14(20)5-3-12/h2-10H,1H3
InChIKeyVVPIMDLNMDTHTF-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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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-6-[5-(4-fluorophenyl)-1,2,4-triazin-6-yl]-4-methylquinoline?
The IUPAC name of 8-fluoro-6-[5-(4-fluorophenyl)-1,2,4-triazin-6-yl]-4-methylquinoline (CID 166666155) is 8-fluoro-6-[5-(4-fluorophenyl)-1,2,4-triazin-6-yl]-4-methylquinoline.
What is the SMILES notation for 8-fluoro-6-[5-(4-fluorophenyl)-1,2,4-triazin-6-yl]-4-methylquinoline?
The canonical SMILES for 8-fluoro-6-[5-(4-fluorophenyl)-1,2,4-triazin-6-yl]-4-methylquinoline is Cc1ccnc2c(F)cc(-c3nncnc3-c3ccc(F)cc3)cc12.
What is the InChIKey of 8-fluoro-6-[5-(4-fluorophenyl)-1,2,4-triazin-6-yl]-4-methylquinoline?
The InChIKey is VVPIMDLNMDTHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2N4/c1-11-6-7-22-19-15(11)8-13(9-16(19)21)18-17(23-10-24-25-18)12-2-4-14(20)5-3-12/h2-10H,1H3.
What are the key properties of 8-fluoro-6-[5-(4-fluorophenyl)-1,2,4-triazin-6-yl]-4-methylquinoline?
8-fluoro-6-[5-(4-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-(4-fluorophenyl)-1,2,4-triazin-6-yl]-4-methylquinoline is sourced from PubChem (CID 166666155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).