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

C19H16N6O3S — CID 86704129

IUPAC2-(7-methoxyquinolin-4-yl)oxy-N'-(6-thiophen-2-yl-1,2,4-triazin-3-yl)acetohydrazide
SMILESCOc1ccc2c(OCC(=O)NNc3ncc(-c4cccs4)nn3)ccnc2c1
InChIInChI=1S/C19H16N6O3S/c1-27-12-4-5-13-14(9-12)20-7-6-16(13)28-11-18(26)23-25-19-21-10-15(22-24-19)17-3-2-8-29-17/h2-10H,11H2,1H3,(H,23,26)(H,21,24,25)
InChIKeyNZPSELDGPJBLMD-UHFFFAOYSA-N
MW408.44 g/mol
LogP2.68
Rot. Bonds7

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

2-(7-methoxyquinolin-4-yl)oxy-N'-(6-thiophen-2-yl-1,2,4-triazin-3-yl)acetohydrazide (PubChem CID 86704129) has the molecular formula C19H16N6O3S and a molecular weight of 408.44 g/mol. Its IUPAC name is 2-(7-methoxyquinolin-4-yl)oxy-N'-(6-thiophen-2-yl-1,2,4-triazin-3-yl)acetohydrazide.

Molecular Properties

Compound Name2-(7-methoxyquinolin-4-yl)oxy-N'-(6-thiophen-2-yl-1,2,4-triazin-3-yl)acetohydrazide
PubChem CID86704129
Molecular FormulaC19H16N6O3S
Molecular Weight408.44 g/mol
Exact Mass408.10
IUPAC Name2-(7-methoxyquinolin-4-yl)oxy-N'-(6-thiophen-2-yl-1,2,4-triazin-3-yl)acetohydrazide
SMILESCOc1ccc2c(OCC(=O)NNc3ncc(-c4cccs4)nn3)ccnc2c1
InChIInChI=1S/C19H16N6O3S/c1-27-12-4-5-13-14(9-12)20-7-6-16(13)28-11-18(26)23-25-19-21-10-15(22-24-19)17-3-2-8-29-17/h2-10H,11H2,1H3,(H,23,26)(H,21,24,25)
InChIKeyNZPSELDGPJBLMD-UHFFFAOYSA-N
XLogP2.68
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxyquinolin-4-yl)oxy-N'-(6-thiophen-2-yl-1,2,4-triazin-3-yl)acetohydrazide?
The IUPAC name of 2-(7-methoxyquinolin-4-yl)oxy-N'-(6-thiophen-2-yl-1,2,4-triazin-3-yl)acetohydrazide (CID 86704129) is 2-(7-methoxyquinolin-4-yl)oxy-N'-(6-thiophen-2-yl-1,2,4-triazin-3-yl)acetohydrazide.
What is the SMILES notation for 2-(7-methoxyquinolin-4-yl)oxy-N'-(6-thiophen-2-yl-1,2,4-triazin-3-yl)acetohydrazide?
The canonical SMILES for 2-(7-methoxyquinolin-4-yl)oxy-N'-(6-thiophen-2-yl-1,2,4-triazin-3-yl)acetohydrazide is COc1ccc2c(OCC(=O)NNc3ncc(-c4cccs4)nn3)ccnc2c1.
What is the InChIKey of 2-(7-methoxyquinolin-4-yl)oxy-N'-(6-thiophen-2-yl-1,2,4-triazin-3-yl)acetohydrazide?
The InChIKey is NZPSELDGPJBLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O3S/c1-27-12-4-5-13-14(9-12)20-7-6-16(13)28-11-18(26)23-25-19-21-10-15(22-24-19)17-3-2-8-29-17/h2-10H,11H2,1H3,(H,23,26)(H,21,24,25).
What are the key properties of 2-(7-methoxyquinolin-4-yl)oxy-N'-(6-thiophen-2-yl-1,2,4-triazin-3-yl)acetohydrazide?
2-(7-methoxyquinolin-4-yl)oxy-N'-(6-thiophen-2-yl-1,2,4-triazin-3-yl)acetohydrazide has a molecular weight of 408.44 g/mol, XLogP of 2.68, 7 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-thiophen-2-yl-1,2,4-triazin-3-yl)acetohydrazide is sourced from PubChem (CID 86704129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).