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

C21H18N6O3 — CID 86704160

IUPACN'-[6-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-2-quinolin-4-yloxyacetohydrazide
SMILESCOc1cccc(-c2cnc(NNC(=O)COc3ccnc4ccccc34)nn2)c1
InChIInChI=1S/C21H18N6O3/c1-29-15-6-4-5-14(11-15)18-12-23-21(26-24-18)27-25-20(28)13-30-19-9-10-22-17-8-3-2-7-16(17)19/h2-12H,13H2,1H3,(H,25,28)(H,23,26,27)
InChIKeyKGGDXMCFBFQHDY-UHFFFAOYSA-N
MW402.41 g/mol
LogP2.62
Rot. Bonds7

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

N'-[6-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-2-quinolin-4-yloxyacetohydrazide (PubChem CID 86704160) has the molecular formula C21H18N6O3 and a molecular weight of 402.41 g/mol. Its IUPAC name is N'-[6-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-2-quinolin-4-yloxyacetohydrazide.

Molecular Properties

Compound NameN'-[6-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-2-quinolin-4-yloxyacetohydrazide
PubChem CID86704160
Molecular FormulaC21H18N6O3
Molecular Weight402.41 g/mol
Exact Mass402.14
IUPAC NameN'-[6-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-2-quinolin-4-yloxyacetohydrazide
SMILESCOc1cccc(-c2cnc(NNC(=O)COc3ccnc4ccccc34)nn2)c1
InChIInChI=1S/C21H18N6O3/c1-29-15-6-4-5-14(11-15)18-12-23-21(26-24-18)27-25-20(28)13-30-19-9-10-22-17-8-3-2-7-16(17)19/h2-12H,13H2,1H3,(H,25,28)(H,23,26,27)
InChIKeyKGGDXMCFBFQHDY-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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Related Compounds

N-propan-2-yl-2-[3-[4-[4-(1H-pyrazol-4-yl)anilino]pyrido[3,4-d]pyrimidin-2-yl]phenoxy]acetamide
CID 124159158
7-Methoxy-4-[[6-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methoxy]quinoline
CID 57406759
6-(4-Fluorophenyl)-3-[(7-methoxy-4-quinolyl)oxyacetylhydrazino]-1,2,4-triazine
CID 86704126
6-(4-Fluorophenyl)-3-[(6,7-dimethoxy-4-quinolyl)oxyacetylhydrazino]-1,2,4-triazine
CID 86704148
6-(4-Fluorophenyl)-3-(4-quinolyloxy acetylhydrazino)-1,2,4-triazine
CID 86704155
Difluoro-[[6-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-yl]amino]-(2-quinolin-6-ylacetyl)azanium
CID 89844228
2,2-difluoro-N'-[6-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-yl]-2-quinolin-6-ylacetohydrazide
CID 89844229
N'-[6-(4-fluorophenyl)-1,2,4-triazin-3-yl]-N'-quinolin-4-yloxyacetohydrazide
CID 89844274
N'-[6-(4-fluorophenyl)-1,2,4-triazin-3-yl]-N'-(7-methoxyquinolin-4-yl)oxyacetohydrazide
CID 89844322
N'-[6-(4-fluorophenyl)-1,2,4-triazin-3-yl]-N-quinolin-4-yloxyacetohydrazide
CID 89844357
N'-(6,7-dimethoxyquinolin-4-yl)oxy-N'-[6-(4-fluorophenyl)-1,2,4-triazin-3-yl]acetohydrazide
CID 89844425
2-(8-fluoroquinolin-4-yl)oxy-N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)acetohydrazide
CID 162515635

Frequently Asked Questions

What is the IUPAC name of N'-[6-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-2-quinolin-4-yloxyacetohydrazide?
The IUPAC name of N'-[6-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-2-quinolin-4-yloxyacetohydrazide (CID 86704160) is N'-[6-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-2-quinolin-4-yloxyacetohydrazide.
What is the SMILES notation for N'-[6-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-2-quinolin-4-yloxyacetohydrazide?
The canonical SMILES for N'-[6-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-2-quinolin-4-yloxyacetohydrazide is COc1cccc(-c2cnc(NNC(=O)COc3ccnc4ccccc34)nn2)c1.
What is the InChIKey of N'-[6-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-2-quinolin-4-yloxyacetohydrazide?
The InChIKey is KGGDXMCFBFQHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O3/c1-29-15-6-4-5-14(11-15)18-12-23-21(26-24-18)27-25-20(28)13-30-19-9-10-22-17-8-3-2-7-16(17)19/h2-12H,13H2,1H3,(H,25,28)(H,23,26,27).
What are the key properties of N'-[6-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-2-quinolin-4-yloxyacetohydrazide?
N'-[6-(3-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-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-2-quinolin-4-yloxyacetohydrazide is sourced from PubChem (CID 86704160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).