N'-[6-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-2-quinolin-4-yloxyacetohydrazide

C21H18N6O3 — CID 86704157

IUPACN'-[6-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-2-quinolin-4-yloxyacetohydrazide
SMILESCOc1ccc(-c2cnc(NNC(=O)COc3ccnc4ccccc34)nn2)cc1
InChIInChI=1S/C21H18N6O3/c1-29-15-8-6-14(7-9-15)18-12-23-21(26-24-18)27-25-20(28)13-30-19-10-11-22-17-5-3-2-4-16(17)19/h2-12H,13H2,1H3,(H,25,28)(H,23,26,27)
InChIKeyGSDKZFXZVDEHGS-UHFFFAOYSA-N
MW402.41 g/mol
LogP2.62
Rot. Bonds7

About N'-[6-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-2-quinolin-4-yloxyacetohydrazide

N'-[6-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-2-quinolin-4-yloxyacetohydrazide (PubChem CID 86704157) has the molecular formula C21H18N6O3 and a molecular weight of 402.41 g/mol. Its IUPAC name is N'-[6-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-2-quinolin-4-yloxyacetohydrazide.

Molecular Properties

Compound NameN'-[6-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-2-quinolin-4-yloxyacetohydrazide
PubChem CID86704157
Molecular FormulaC21H18N6O3
Molecular Weight402.41 g/mol
Exact Mass402.14
IUPAC NameN'-[6-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-2-quinolin-4-yloxyacetohydrazide
SMILESCOc1ccc(-c2cnc(NNC(=O)COc3ccnc4ccccc34)nn2)cc1
InChIInChI=1S/C21H18N6O3/c1-29-15-8-6-14(7-9-15)18-12-23-21(26-24-18)27-25-20(28)13-30-19-10-11-22-17-5-3-2-4-16(17)19/h2-12H,13H2,1H3,(H,25,28)(H,23,26,27)
InChIKeyGSDKZFXZVDEHGS-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'}

Analyze N'-[6-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-2-quinolin-4-yloxyacetohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[6-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-2-quinolin-4-yloxyacetohydrazide?
The IUPAC name of N'-[6-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-2-quinolin-4-yloxyacetohydrazide (CID 86704157) is N'-[6-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-2-quinolin-4-yloxyacetohydrazide.
What is the SMILES notation for N'-[6-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-2-quinolin-4-yloxyacetohydrazide?
The canonical SMILES for N'-[6-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-2-quinolin-4-yloxyacetohydrazide is COc1ccc(-c2cnc(NNC(=O)COc3ccnc4ccccc34)nn2)cc1.
What is the InChIKey of N'-[6-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-2-quinolin-4-yloxyacetohydrazide?
The InChIKey is GSDKZFXZVDEHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O3/c1-29-15-8-6-14(7-9-15)18-12-23-21(26-24-18)27-25-20(28)13-30-19-10-11-22-17-5-3-2-4-16(17)19/h2-12H,13H2,1H3,(H,25,28)(H,23,26,27).
What are the key properties of N'-[6-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-2-quinolin-4-yloxyacetohydrazide?
N'-[6-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-2-quinolin-4-yloxyacetohydrazide 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 N'-[6-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-2-quinolin-4-yloxyacetohydrazide is sourced from PubChem (CID 86704157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).