N'-[6-(4-bromophenyl)-1,2,4-triazin-3-yl]-2-(7-methoxyquinolin-4-yl)oxyacetohydrazide

C21H17BrN6O3 — CID 86704128

IUPACN'-[6-(4-bromophenyl)-1,2,4-triazin-3-yl]-2-(7-methoxyquinolin-4-yl)oxyacetohydrazide
SMILESCOc1ccc2c(OCC(=O)NNc3ncc(-c4ccc(Br)cc4)nn3)ccnc2c1
InChIInChI=1S/C21H17BrN6O3/c1-30-15-6-7-16-17(10-15)23-9-8-19(16)31-12-20(29)26-28-21-24-11-18(25-27-21)13-2-4-14(22)5-3-13/h2-11H,12H2,1H3,(H,26,29)(H,24,27,28)
InChIKeyKHAQBAGSNITRRD-UHFFFAOYSA-N
MW481.31 g/mol
LogP3.38
Rot. Bonds7

About N'-[6-(4-bromophenyl)-1,2,4-triazin-3-yl]-2-(7-methoxyquinolin-4-yl)oxyacetohydrazide

N'-[6-(4-bromophenyl)-1,2,4-triazin-3-yl]-2-(7-methoxyquinolin-4-yl)oxyacetohydrazide (PubChem CID 86704128) has the molecular formula C21H17BrN6O3 and a molecular weight of 481.31 g/mol. Its IUPAC name is N'-[6-(4-bromophenyl)-1,2,4-triazin-3-yl]-2-(7-methoxyquinolin-4-yl)oxyacetohydrazide.

Molecular Properties

Compound NameN'-[6-(4-bromophenyl)-1,2,4-triazin-3-yl]-2-(7-methoxyquinolin-4-yl)oxyacetohydrazide
PubChem CID86704128
Molecular FormulaC21H17BrN6O3
Molecular Weight481.31 g/mol
Exact Mass480.05
IUPAC NameN'-[6-(4-bromophenyl)-1,2,4-triazin-3-yl]-2-(7-methoxyquinolin-4-yl)oxyacetohydrazide
SMILESCOc1ccc2c(OCC(=O)NNc3ncc(-c4ccc(Br)cc4)nn3)ccnc2c1
InChIInChI=1S/C21H17BrN6O3/c1-30-15-6-7-16-17(10-15)23-9-8-19(16)31-12-20(29)26-28-21-24-11-18(25-27-21)13-2-4-14(22)5-3-13/h2-11H,12H2,1H3,(H,26,29)(H,24,27,28)
InChIKeyKHAQBAGSNITRRD-UHFFFAOYSA-N
XLogP3.38
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.31
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[6-(4-bromophenyl)-1,2,4-triazin-3-yl]-2-(7-methoxyquinolin-4-yl)oxyacetohydrazide 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

6-(4-Fluorophenyl)-3-[(7-methoxy-4-quinolyl)oxyacetylhydrazino]-1,2,4-triazine
CID 86704126
6-(4-Fluorophenyl)-3-[(6,7-dimethoxy-4-quinolyl)oxyacetylhydrazino]-1,2,4-triazine
CID 86704148
6-(4-Fluorophenyl)-3-(4-quinolyloxy acetylhydrazino)-1,2,4-triazine
CID 86704155
N'-[6-(4-fluorophenyl)-1,2,4-triazin-3-yl]-N'-(7-methoxyquinolin-4-yl)oxyacetohydrazide
CID 89844322
3-[(7-Methoxy-4-quinolyl)oxymethyl]-6-(4-bromophenyl)[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 57406573
6-(4-Chlorophenyl)-3-[(7-methoxy-4-quinolyl)oxyacetylhydrazino]-1,2,4-triazine
CID 86704127
6-(2-Thienyl)-3-[(7-methoxy-4-quinolyl)oxyacetylhydrazino]-1,2,4-triazine
CID 86704129
6-(4-Methoxyformylphenyl)-3-[(7-methoxy-4-quinolyl)oxyacetylhydrazino]-1,2,4-triazine
CID 86704131
6-(4-Nitrophenyl)-3-[(7-methoxy-4-quinolyl)oxyacetylhydrazino]-1,2,4-triazine
CID 86704134
6-Phenyl-3-[(7-methoxy-4-quinolyl)oxyacetylhydrazino]-1,2,4-triazine
CID 86704135
6-(4-Benzyloxyphenyl)-3-[(7-methoxy-4-quinolyl)oxyacetylhydrazino]-1,2,4-triazine
CID 86704136
6-(3-Methoxyphenyl)-3-[(7-methoxy-4-quinolyl)oxyacetylhydrazino]-1,2,4-triazine
CID 86704144

Frequently Asked Questions

What is the IUPAC name of N'-[6-(4-bromophenyl)-1,2,4-triazin-3-yl]-2-(7-methoxyquinolin-4-yl)oxyacetohydrazide?
The IUPAC name of N'-[6-(4-bromophenyl)-1,2,4-triazin-3-yl]-2-(7-methoxyquinolin-4-yl)oxyacetohydrazide (CID 86704128) is N'-[6-(4-bromophenyl)-1,2,4-triazin-3-yl]-2-(7-methoxyquinolin-4-yl)oxyacetohydrazide.
What is the SMILES notation for N'-[6-(4-bromophenyl)-1,2,4-triazin-3-yl]-2-(7-methoxyquinolin-4-yl)oxyacetohydrazide?
The canonical SMILES for N'-[6-(4-bromophenyl)-1,2,4-triazin-3-yl]-2-(7-methoxyquinolin-4-yl)oxyacetohydrazide is COc1ccc2c(OCC(=O)NNc3ncc(-c4ccc(Br)cc4)nn3)ccnc2c1.
What is the InChIKey of N'-[6-(4-bromophenyl)-1,2,4-triazin-3-yl]-2-(7-methoxyquinolin-4-yl)oxyacetohydrazide?
The InChIKey is KHAQBAGSNITRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN6O3/c1-30-15-6-7-16-17(10-15)23-9-8-19(16)31-12-20(29)26-28-21-24-11-18(25-27-21)13-2-4-14(22)5-3-13/h2-11H,12H2,1H3,(H,26,29)(H,24,27,28).
What are the key properties of N'-[6-(4-bromophenyl)-1,2,4-triazin-3-yl]-2-(7-methoxyquinolin-4-yl)oxyacetohydrazide?
N'-[6-(4-bromophenyl)-1,2,4-triazin-3-yl]-2-(7-methoxyquinolin-4-yl)oxyacetohydrazide has a molecular weight of 481.31 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(4-bromophenyl)-1,2,4-triazin-3-yl]-2-(7-methoxyquinolin-4-yl)oxyacetohydrazide is sourced from PubChem (CID 86704128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).