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

C22H20N6O4 — CID 86704144

IUPACN'-[6-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-2-(7-methoxyquinolin-4-yl)oxyacetohydrazide
SMILESCOc1cccc(-c2cnc(NNC(=O)COc3ccnc4cc(OC)ccc34)nn2)c1
InChIInChI=1S/C22H20N6O4/c1-30-15-5-3-4-14(10-15)19-12-24-22(27-25-19)28-26-21(29)13-32-20-8-9-23-18-11-16(31-2)6-7-17(18)20/h3-12H,13H2,1-2H3,(H,26,29)(H,24,27,28)
InChIKeyUGOGNGMYZPPXCL-UHFFFAOYSA-N
MW432.44 g/mol
LogP2.63
Rot. Bonds8

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

N'-[6-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-2-(7-methoxyquinolin-4-yl)oxyacetohydrazide (PubChem CID 86704144) has the molecular formula C22H20N6O4 and a molecular weight of 432.44 g/mol. Its IUPAC name is N'-[6-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-2-(7-methoxyquinolin-4-yl)oxyacetohydrazide.

Molecular Properties

Compound NameN'-[6-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-2-(7-methoxyquinolin-4-yl)oxyacetohydrazide
PubChem CID86704144
Molecular FormulaC22H20N6O4
Molecular Weight432.44 g/mol
Exact Mass432.15
IUPAC NameN'-[6-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-2-(7-methoxyquinolin-4-yl)oxyacetohydrazide
SMILESCOc1cccc(-c2cnc(NNC(=O)COc3ccnc4cc(OC)ccc34)nn2)c1
InChIInChI=1S/C22H20N6O4/c1-30-15-5-3-4-14(10-15)19-12-24-22(27-25-19)28-26-21(29)13-32-20-8-9-23-18-11-16(31-2)6-7-17(18)20/h3-12H,13H2,1-2H3,(H,26,29)(H,24,27,28)
InChIKeyUGOGNGMYZPPXCL-UHFFFAOYSA-N
XLogP2.63
TPSA120.38 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 52.63
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 N'-[6-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-2-(7-methoxyquinolin-4-yl)oxyacetohydrazide?
The IUPAC name of N'-[6-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-2-(7-methoxyquinolin-4-yl)oxyacetohydrazide (CID 86704144) is N'-[6-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-2-(7-methoxyquinolin-4-yl)oxyacetohydrazide.
What is the SMILES notation for N'-[6-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-2-(7-methoxyquinolin-4-yl)oxyacetohydrazide?
The canonical SMILES for N'-[6-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-2-(7-methoxyquinolin-4-yl)oxyacetohydrazide is COc1cccc(-c2cnc(NNC(=O)COc3ccnc4cc(OC)ccc34)nn2)c1.
What is the InChIKey of N'-[6-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-2-(7-methoxyquinolin-4-yl)oxyacetohydrazide?
The InChIKey is UGOGNGMYZPPXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O4/c1-30-15-5-3-4-14(10-15)19-12-24-22(27-25-19)28-26-21(29)13-32-20-8-9-23-18-11-16(31-2)6-7-17(18)20/h3-12H,13H2,1-2H3,(H,26,29)(H,24,27,28).
What are the key properties of N'-[6-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-2-(7-methoxyquinolin-4-yl)oxyacetohydrazide?
N'-[6-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-2-(7-methoxyquinolin-4-yl)oxyacetohydrazide has a molecular weight of 432.44 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-2-(7-methoxyquinolin-4-yl)oxyacetohydrazide is sourced from PubChem (CID 86704144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).