N-(4-bromo-3-fluorophenyl)-7-ethoxy-6-methoxy-1,2,3-benzotriazin-4-amine

C16H14BrFN4O2 — CID 67301488

IUPACN-(4-bromo-3-fluorophenyl)-7-ethoxy-6-methoxy-1,2,3-benzotriazin-4-amine
SMILESCCOc1cc2nnnc(Nc3ccc(Br)c(F)c3)c2cc1OC
InChIInChI=1S/C16H14BrFN4O2/c1-3-24-15-8-13-10(7-14(15)23-2)16(21-22-20-13)19-9-4-5-11(17)12(18)6-9/h4-8H,3H2,1-2H3,(H,19,20,21)
InChIKeyOTRWQLZSOOLZCP-UHFFFAOYSA-N
MW393.22 g/mol
LogP4.08
Rot. Bonds5

About N-(4-bromo-3-fluorophenyl)-7-ethoxy-6-methoxy-1,2,3-benzotriazin-4-amine

N-(4-bromo-3-fluorophenyl)-7-ethoxy-6-methoxy-1,2,3-benzotriazin-4-amine (PubChem CID 67301488) has the molecular formula C16H14BrFN4O2 and a molecular weight of 393.22 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)-7-ethoxy-6-methoxy-1,2,3-benzotriazin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)-7-ethoxy-6-methoxy-1,2,3-benzotriazin-4-amine
PubChem CID67301488
Molecular FormulaC16H14BrFN4O2
Molecular Weight393.22 g/mol
Exact Mass392.03
IUPAC NameN-(4-bromo-3-fluorophenyl)-7-ethoxy-6-methoxy-1,2,3-benzotriazin-4-amine
SMILESCCOc1cc2nnnc(Nc3ccc(Br)c(F)c3)c2cc1OC
InChIInChI=1S/C16H14BrFN4O2/c1-3-24-15-8-13-10(7-14(15)23-2)16(21-22-20-13)19-9-4-5-11(17)12(18)6-9/h4-8H,3H2,1-2H3,(H,19,20,21)
InChIKeyOTRWQLZSOOLZCP-UHFFFAOYSA-N
XLogP4.08
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.22
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-bromo-3-fluorophenyl)-7-ethoxy-6-methoxy-1,2,3-benzotriazin-4-amine with MolForge

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Related Compounds

N-(4-bromo-3-fluorophenyl)-7-(1-chloropropoxy)-6-methoxy-1,2,3-benzotriazin-4-amine
CID 67301405
7-butoxy-N-(4-fluorophenyl)-6-methoxy-1,2,3-benzotriazin-4-amine
CID 67300948
7-butoxy-6-methoxy-N-phenyl-1,2,3-benzotriazin-4-amine
CID 25059452
7-(3-chloropropoxy)-N-(3,5-difluorophenyl)-6-methoxy-1,2,3-benzotriazin-4-amine
CID 67301345
N-(3-chloro-4-fluorophenyl)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]-1,2,3-benzotriazin-4-amine;hydrochloride
CID 67301088
7-(1-chloropropoxy)-6-methoxy-N-(4-methylphenyl)-1,2,3-benzotriazin-4-amine
CID 67301092
N-(3-chloro-4-fluorophenyl)-6-(ethoxymethoxy)-7-methoxyquinazolin-4-amine
CID 150119813
1-bromo-4-ethoxy-2-fluoro-5-methoxybenzene
CID 69098703
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine
CID 59772897
N-(3,4-dichlorophenyl)-6-ethoxy-7-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 71180453
N-(4-fluoro-3-methylphenyl)-7-methoxy-6-(2-methylpropoxy)quinazolin-4-amine
CID 165053338
6-(3-aminopropoxy)-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine
CID 156814297

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)-7-ethoxy-6-methoxy-1,2,3-benzotriazin-4-amine?
The IUPAC name of N-(4-bromo-3-fluorophenyl)-7-ethoxy-6-methoxy-1,2,3-benzotriazin-4-amine (CID 67301488) is N-(4-bromo-3-fluorophenyl)-7-ethoxy-6-methoxy-1,2,3-benzotriazin-4-amine.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)-7-ethoxy-6-methoxy-1,2,3-benzotriazin-4-amine?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)-7-ethoxy-6-methoxy-1,2,3-benzotriazin-4-amine is CCOc1cc2nnnc(Nc3ccc(Br)c(F)c3)c2cc1OC.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)-7-ethoxy-6-methoxy-1,2,3-benzotriazin-4-amine?
The InChIKey is OTRWQLZSOOLZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN4O2/c1-3-24-15-8-13-10(7-14(15)23-2)16(21-22-20-13)19-9-4-5-11(17)12(18)6-9/h4-8H,3H2,1-2H3,(H,19,20,21).
What are the key properties of N-(4-bromo-3-fluorophenyl)-7-ethoxy-6-methoxy-1,2,3-benzotriazin-4-amine?
N-(4-bromo-3-fluorophenyl)-7-ethoxy-6-methoxy-1,2,3-benzotriazin-4-amine has a molecular weight of 393.22 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-fluorophenyl)-7-ethoxy-6-methoxy-1,2,3-benzotriazin-4-amine is sourced from PubChem (CID 67301488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).