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

C29H26N6O5 — CID 86704154

IUPAC2-(6,7-dimethoxyquinolin-4-yl)oxy-N'-[6-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-yl]acetohydrazide
SMILESCOc1cc2nccc(OCC(=O)NNc3ncc(-c4ccc(OCc5ccccc5)cc4)nn3)c2cc1OC
InChIInChI=1S/C29H26N6O5/c1-37-26-14-22-23(15-27(26)38-2)30-13-12-25(22)40-18-28(36)33-35-29-31-16-24(32-34-29)20-8-10-21(11-9-20)39-17-19-6-4-3-5-7-19/h3-16H,17-18H2,1-2H3,(H,33,36)(H,31,34,35)
InChIKeyKTOOQOYNINTFNV-UHFFFAOYSA-N
MW538.56 g/mol
LogP4.21
Rot. Bonds11

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

2-(6,7-dimethoxyquinolin-4-yl)oxy-N'-[6-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-yl]acetohydrazide (PubChem CID 86704154) has the molecular formula C29H26N6O5 and a molecular weight of 538.56 g/mol. Its IUPAC name is 2-(6,7-dimethoxyquinolin-4-yl)oxy-N'-[6-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-yl]acetohydrazide.

Molecular Properties

Compound Name2-(6,7-dimethoxyquinolin-4-yl)oxy-N'-[6-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-yl]acetohydrazide
PubChem CID86704154
Molecular FormulaC29H26N6O5
Molecular Weight538.56 g/mol
Exact Mass538.20
IUPAC Name2-(6,7-dimethoxyquinolin-4-yl)oxy-N'-[6-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-yl]acetohydrazide
SMILESCOc1cc2nccc(OCC(=O)NNc3ncc(-c4ccc(OCc5ccccc5)cc4)nn3)c2cc1OC
InChIInChI=1S/C29H26N6O5/c1-37-26-14-22-23(15-27(26)38-2)30-13-12-25(22)40-18-28(36)33-35-29-31-16-24(32-34-29)20-8-10-21(11-9-20)39-17-19-6-4-3-5-7-19/h3-16H,17-18H2,1-2H3,(H,33,36)(H,31,34,35)
InChIKeyKTOOQOYNINTFNV-UHFFFAOYSA-N
XLogP4.21
TPSA129.61 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.56
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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-(6,7-dimethoxyquinolin-4-yl)oxy-N'-[6-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-yl]acetohydrazide?
The IUPAC name of 2-(6,7-dimethoxyquinolin-4-yl)oxy-N'-[6-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-yl]acetohydrazide (CID 86704154) is 2-(6,7-dimethoxyquinolin-4-yl)oxy-N'-[6-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-yl]acetohydrazide.
What is the SMILES notation for 2-(6,7-dimethoxyquinolin-4-yl)oxy-N'-[6-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-yl]acetohydrazide?
The canonical SMILES for 2-(6,7-dimethoxyquinolin-4-yl)oxy-N'-[6-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-yl]acetohydrazide is COc1cc2nccc(OCC(=O)NNc3ncc(-c4ccc(OCc5ccccc5)cc4)nn3)c2cc1OC.
What is the InChIKey of 2-(6,7-dimethoxyquinolin-4-yl)oxy-N'-[6-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-yl]acetohydrazide?
The InChIKey is KTOOQOYNINTFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N6O5/c1-37-26-14-22-23(15-27(26)38-2)30-13-12-25(22)40-18-28(36)33-35-29-31-16-24(32-34-29)20-8-10-21(11-9-20)39-17-19-6-4-3-5-7-19/h3-16H,17-18H2,1-2H3,(H,33,36)(H,31,34,35).
What are the key properties of 2-(6,7-dimethoxyquinolin-4-yl)oxy-N'-[6-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-yl]acetohydrazide?
2-(6,7-dimethoxyquinolin-4-yl)oxy-N'-[6-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-yl]acetohydrazide has a molecular weight of 538.56 g/mol, XLogP of 4.21, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethoxyquinolin-4-yl)oxy-N'-[6-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-yl]acetohydrazide is sourced from PubChem (CID 86704154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).