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

C21H18N6O3 — CID 86704135

IUPAC2-(7-methoxyquinolin-4-yl)oxy-N'-(6-phenyl-1,2,4-triazin-3-yl)acetohydrazide
SMILESCOc1ccc2c(OCC(=O)NNc3ncc(-c4ccccc4)nn3)ccnc2c1
InChIInChI=1S/C21H18N6O3/c1-29-15-7-8-16-17(11-15)22-10-9-19(16)30-13-20(28)25-27-21-23-12-18(24-26-21)14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,25,28)(H,23,26,27)
InChIKeyLSKVQZNRAGJCRN-UHFFFAOYSA-N
MW402.41 g/mol
LogP2.62
Rot. Bonds7

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

2-(7-methoxyquinolin-4-yl)oxy-N'-(6-phenyl-1,2,4-triazin-3-yl)acetohydrazide (PubChem CID 86704135) has the molecular formula C21H18N6O3 and a molecular weight of 402.41 g/mol. Its IUPAC name is 2-(7-methoxyquinolin-4-yl)oxy-N'-(6-phenyl-1,2,4-triazin-3-yl)acetohydrazide.

Molecular Properties

Compound Name2-(7-methoxyquinolin-4-yl)oxy-N'-(6-phenyl-1,2,4-triazin-3-yl)acetohydrazide
PubChem CID86704135
Molecular FormulaC21H18N6O3
Molecular Weight402.41 g/mol
Exact Mass402.14
IUPAC Name2-(7-methoxyquinolin-4-yl)oxy-N'-(6-phenyl-1,2,4-triazin-3-yl)acetohydrazide
SMILESCOc1ccc2c(OCC(=O)NNc3ncc(-c4ccccc4)nn3)ccnc2c1
InChIInChI=1S/C21H18N6O3/c1-29-15-7-8-16-17(11-15)22-10-9-19(16)30-13-20(28)25-27-21-23-12-18(24-26-21)14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,25,28)(H,23,26,27)
InChIKeyLSKVQZNRAGJCRN-UHFFFAOYSA-N
XLogP2.62
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-phenyl-1,2,4-triazin-3-yl)acetohydrazide?
The IUPAC name of 2-(7-methoxyquinolin-4-yl)oxy-N'-(6-phenyl-1,2,4-triazin-3-yl)acetohydrazide (CID 86704135) is 2-(7-methoxyquinolin-4-yl)oxy-N'-(6-phenyl-1,2,4-triazin-3-yl)acetohydrazide.
What is the SMILES notation for 2-(7-methoxyquinolin-4-yl)oxy-N'-(6-phenyl-1,2,4-triazin-3-yl)acetohydrazide?
The canonical SMILES for 2-(7-methoxyquinolin-4-yl)oxy-N'-(6-phenyl-1,2,4-triazin-3-yl)acetohydrazide is COc1ccc2c(OCC(=O)NNc3ncc(-c4ccccc4)nn3)ccnc2c1.
What is the InChIKey of 2-(7-methoxyquinolin-4-yl)oxy-N'-(6-phenyl-1,2,4-triazin-3-yl)acetohydrazide?
The InChIKey is LSKVQZNRAGJCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O3/c1-29-15-7-8-16-17(11-15)22-10-9-19(16)30-13-20(28)25-27-21-23-12-18(24-26-21)14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,25,28)(H,23,26,27).
What are the key properties of 2-(7-methoxyquinolin-4-yl)oxy-N'-(6-phenyl-1,2,4-triazin-3-yl)acetohydrazide?
2-(7-methoxyquinolin-4-yl)oxy-N'-(6-phenyl-1,2,4-triazin-3-yl)acetohydrazide has a molecular weight of 402.41 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxyquinolin-4-yl)oxy-N'-(6-phenyl-1,2,4-triazin-3-yl)acetohydrazide is sourced from PubChem (CID 86704135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).