6-bromo-4-ethyl-8-fluoroquinoline;6-bromo-8-fluoro-4-methylquinoline;bis(6-(4-ethyl-8-fluoroquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine)

C61H48Br2F4N12 — CID 160860411

IUPAC6-bromo-4-ethyl-8-fluoroquinoline;6-bromo-8-fluoro-4-methylquinoline;bis(6-(4-ethyl-8-fluoroquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine)
SMILESCCc1ccnc2c(F)cc(-c3nnc(N)nc3-c3ccccc3)cc12.CCc1ccnc2c(F)cc(-c3nnc(N)nc3-c3ccccc3)cc12.CCc1ccnc2c(F)cc(Br)cc12.Cc1ccnc2c(F)cc(Br)cc12
InChIInChI=1S/2C20H16FN5.C11H9BrFN.C10H7BrFN/c2*1-2-12-8-9-23-19-15(12)10-14(11-16(19)21)18-17(24-20(22)26-25-18)13-6-4-3-5-7-13;1-2-7-3-4-14-11-9(7)5-8(12)6-10(11)13;1-6-2-3-13-10-8(6)4-7(11)5-9(10)12/h2*3-11H,2H2,1H3,(H2,22,24,26);3-6H,2H2,1H3;2-5H,1H3
InChIKeySKKCOJUMIXWBIC-UHFFFAOYSA-N
MW1184.94 g/mol
LogP15.22
Rot. Bonds7

About 6-bromo-4-ethyl-8-fluoroquinoline;6-bromo-8-fluoro-4-methylquinoline;bis(6-(4-ethyl-8-fluoroquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine)

6-bromo-4-ethyl-8-fluoroquinoline;6-bromo-8-fluoro-4-methylquinoline;bis(6-(4-ethyl-8-fluoroquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine) (PubChem CID 160860411) has the molecular formula C61H48Br2F4N12 and a molecular weight of 1184.94 g/mol. Its IUPAC name is 6-bromo-4-ethyl-8-fluoroquinoline;6-bromo-8-fluoro-4-methylquinoline;bis(6-(4-ethyl-8-fluoroquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine).

Molecular Properties

Compound Name6-bromo-4-ethyl-8-fluoroquinoline;6-bromo-8-fluoro-4-methylquinoline;bis(6-(4-ethyl-8-fluoroquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine)
PubChem CID160860411
Molecular FormulaC61H48Br2F4N12
Molecular Weight1184.94 g/mol
Exact Mass1182.24
IUPAC Name6-bromo-4-ethyl-8-fluoroquinoline;6-bromo-8-fluoro-4-methylquinoline;bis(6-(4-ethyl-8-fluoroquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine)
SMILESCCc1ccnc2c(F)cc(-c3nnc(N)nc3-c3ccccc3)cc12.CCc1ccnc2c(F)cc(-c3nnc(N)nc3-c3ccccc3)cc12.CCc1ccnc2c(F)cc(Br)cc12.Cc1ccnc2c(F)cc(Br)cc12
InChIInChI=1S/2C20H16FN5.C11H9BrFN.C10H7BrFN/c2*1-2-12-8-9-23-19-15(12)10-14(11-16(19)21)18-17(24-20(22)26-25-18)13-6-4-3-5-7-13;1-2-7-3-4-14-11-9(7)5-8(12)6-10(11)13;1-6-2-3-13-10-8(6)4-7(11)5-9(10)12/h2*3-11H,2H2,1H3,(H2,22,24,26);3-6H,2H2,1H3;2-5H,1H3
InChIKeySKKCOJUMIXWBIC-UHFFFAOYSA-N
XLogP15.22
TPSA180.94 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001184.94
LogP ≤ 515.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 6-bromo-4-ethyl-8-fluoroquinoline;6-bromo-8-fluoro-4-methylquinoline;bis(6-(4-ethyl-8-fluoroquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-4-(8-fluoro-4-methylquinolin-6-yl)pyrimidin-2-amine
CID 171660570
8-fluoro-6-[5-(2-fluorophenyl)-1,2,4-triazin-6-yl]-4-methylquinoline
CID 166666172
8-fluoro-6-[5-(4-fluorophenyl)-1,2,4-triazin-6-yl]-4-methylquinoline
CID 166666155
6-(3-bromophenyl)-5-phenyl-1,2,4-triazin-3-amine
CID 53354729
6-(3-bromophenyl)-5-phenyl-1,2,4-triazin-3-amine
CID 159353991
6-[2-[ethyl(methyl)amino]-6-methyl-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine
CID 67364062
6-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazin-3-amine
CID 53353233
6-(3-fluorophenyl)-5-phenyl-1,2,4-triazin-3-amine
CID 158796576
6-[2-(fluoromethyl)-3-methyl-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine
CID 121410426
6-(4-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine
CID 135234314
6-[3-fluoro-5-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazin-3-amine
CID 53354631
6-(4-methylquinazolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine
CID 135234262

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-ethyl-8-fluoroquinoline;6-bromo-8-fluoro-4-methylquinoline;bis(6-(4-ethyl-8-fluoroquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine)?
The IUPAC name of 6-bromo-4-ethyl-8-fluoroquinoline;6-bromo-8-fluoro-4-methylquinoline;bis(6-(4-ethyl-8-fluoroquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine) (CID 160860411) is 6-bromo-4-ethyl-8-fluoroquinoline;6-bromo-8-fluoro-4-methylquinoline;bis(6-(4-ethyl-8-fluoroquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine).
What is the SMILES notation for 6-bromo-4-ethyl-8-fluoroquinoline;6-bromo-8-fluoro-4-methylquinoline;bis(6-(4-ethyl-8-fluoroquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine)?
The canonical SMILES for 6-bromo-4-ethyl-8-fluoroquinoline;6-bromo-8-fluoro-4-methylquinoline;bis(6-(4-ethyl-8-fluoroquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine) is CCc1ccnc2c(F)cc(-c3nnc(N)nc3-c3ccccc3)cc12.CCc1ccnc2c(F)cc(-c3nnc(N)nc3-c3ccccc3)cc12.CCc1ccnc2c(F)cc(Br)cc12.Cc1ccnc2c(F)cc(Br)cc12.
What is the InChIKey of 6-bromo-4-ethyl-8-fluoroquinoline;6-bromo-8-fluoro-4-methylquinoline;bis(6-(4-ethyl-8-fluoroquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine)?
The InChIKey is SKKCOJUMIXWBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H16FN5.C11H9BrFN.C10H7BrFN/c2*1-2-12-8-9-23-19-15(12)10-14(11-16(19)21)18-17(24-20(22)26-25-18)13-6-4-3-5-7-13;1-2-7-3-4-14-11-9(7)5-8(12)6-10(11)13;1-6-2-3-13-10-8(6)4-7(11)5-9(10)12/h2*3-11H,2H2,1H3,(H2,22,24,26);3-6H,2H2,1H3;2-5H,1H3.
What are the key properties of 6-bromo-4-ethyl-8-fluoroquinoline;6-bromo-8-fluoro-4-methylquinoline;bis(6-(4-ethyl-8-fluoroquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine)?
6-bromo-4-ethyl-8-fluoroquinoline;6-bromo-8-fluoro-4-methylquinoline;bis(6-(4-ethyl-8-fluoroquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine) has a molecular weight of 1184.94 g/mol, XLogP of 15.22, 7 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-ethyl-8-fluoroquinoline;6-bromo-8-fluoro-4-methylquinoline;bis(6-(4-ethyl-8-fluoroquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine) is sourced from PubChem (CID 160860411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).