2-(7-methoxyquinolin-4-yl)oxy-N'-[6-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-yl]acetohydrazide

C28H24N6O4 — CID 86704136

IUPAC2-(7-methoxyquinolin-4-yl)oxy-N'-[6-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-yl]acetohydrazide
SMILESCOc1ccc2c(OCC(=O)NNc3ncc(-c4ccc(OCc5ccccc5)cc4)nn3)ccnc2c1
InChIInChI=1S/C28H24N6O4/c1-36-22-11-12-23-24(15-22)29-14-13-26(23)38-18-27(35)32-34-28-30-16-25(31-33-28)20-7-9-21(10-8-20)37-17-19-5-3-2-4-6-19/h2-16H,17-18H2,1H3,(H,32,35)(H,30,33,34)
InChIKeyLTFUQLGWSBIZIC-UHFFFAOYSA-N
MW508.54 g/mol
LogP4.20
Rot. Bonds10

About 2-(7-methoxyquinolin-4-yl)oxy-N'-[6-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-yl]acetohydrazide

2-(7-methoxyquinolin-4-yl)oxy-N'-[6-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-yl]acetohydrazide (PubChem CID 86704136) has the molecular formula C28H24N6O4 and a molecular weight of 508.54 g/mol. Its IUPAC name is 2-(7-methoxyquinolin-4-yl)oxy-N'-[6-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-yl]acetohydrazide.

Molecular Properties

Compound Name2-(7-methoxyquinolin-4-yl)oxy-N'-[6-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-yl]acetohydrazide
PubChem CID86704136
Molecular FormulaC28H24N6O4
Molecular Weight508.54 g/mol
Exact Mass508.19
IUPAC Name2-(7-methoxyquinolin-4-yl)oxy-N'-[6-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-yl]acetohydrazide
SMILESCOc1ccc2c(OCC(=O)NNc3ncc(-c4ccc(OCc5ccccc5)cc4)nn3)ccnc2c1
InChIInChI=1S/C28H24N6O4/c1-36-22-11-12-23-24(15-22)29-14-13-26(23)38-18-27(35)32-34-28-30-16-25(31-33-28)20-7-9-21(10-8-20)37-17-19-5-3-2-4-6-19/h2-16H,17-18H2,1H3,(H,32,35)(H,30,33,34)
InChIKeyLTFUQLGWSBIZIC-UHFFFAOYSA-N
XLogP4.20
TPSA120.38 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.54
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-(7-methoxyquinolin-4-yl)oxy-N'-[6-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-yl]acetohydrazide with MolForge

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Related Compounds

3-[(7-Methoxy-4-quinolyl)oxymethyl]-6-phenyl[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 57406577
3-[(7-Methoxy-4-quinolyl)oxymethyl]-6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 57406402
7-Methoxy-4-[[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methoxy]quinoline
CID 57406757
7-Methoxy-4-[[6-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methoxy]quinoline
CID 57406759
4-[3-[(7-Methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]phenol
CID 136098500
4-[[6-(3,4-Difluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline
CID 57691044
N-[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]acetamide
CID 25065542
4-[[6-(3-Fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline
CID 57691184
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
Difluoro-[[6-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-yl]amino]-(2-quinolin-6-ylacetyl)azanium
CID 89844228

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxyquinolin-4-yl)oxy-N'-[6-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-yl]acetohydrazide?
The IUPAC name of 2-(7-methoxyquinolin-4-yl)oxy-N'-[6-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-yl]acetohydrazide (CID 86704136) is 2-(7-methoxyquinolin-4-yl)oxy-N'-[6-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-yl]acetohydrazide.
What is the SMILES notation for 2-(7-methoxyquinolin-4-yl)oxy-N'-[6-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-yl]acetohydrazide?
The canonical SMILES for 2-(7-methoxyquinolin-4-yl)oxy-N'-[6-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-yl]acetohydrazide is COc1ccc2c(OCC(=O)NNc3ncc(-c4ccc(OCc5ccccc5)cc4)nn3)ccnc2c1.
What is the InChIKey of 2-(7-methoxyquinolin-4-yl)oxy-N'-[6-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-yl]acetohydrazide?
The InChIKey is LTFUQLGWSBIZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6O4/c1-36-22-11-12-23-24(15-22)29-14-13-26(23)38-18-27(35)32-34-28-30-16-25(31-33-28)20-7-9-21(10-8-20)37-17-19-5-3-2-4-6-19/h2-16H,17-18H2,1H3,(H,32,35)(H,30,33,34).
What are the key properties of 2-(7-methoxyquinolin-4-yl)oxy-N'-[6-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-yl]acetohydrazide?
2-(7-methoxyquinolin-4-yl)oxy-N'-[6-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-yl]acetohydrazide has a molecular weight of 508.54 g/mol, XLogP of 4.20, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxyquinolin-4-yl)oxy-N'-[6-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-yl]acetohydrazide is sourced from PubChem (CID 86704136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).