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

C21H17N7O5 — CID 86704134

IUPAC2-(7-methoxyquinolin-4-yl)oxy-N'-[6-(4-nitrophenyl)-1,2,4-triazin-3-yl]acetohydrazide
SMILESCOc1ccc2c(OCC(=O)NNc3ncc(-c4ccc([N+](=O)[O-])cc4)nn3)ccnc2c1
InChIInChI=1S/C21H17N7O5/c1-32-15-6-7-16-17(10-15)22-9-8-19(16)33-12-20(29)25-27-21-23-11-18(24-26-21)13-2-4-14(5-3-13)28(30)31/h2-11H,12H2,1H3,(H,25,29)(H,23,26,27)
InChIKeyFWRISQHRXOMTAP-UHFFFAOYSA-N
MW447.41 g/mol
LogP2.53
Rot. Bonds8

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

2-(7-methoxyquinolin-4-yl)oxy-N'-[6-(4-nitrophenyl)-1,2,4-triazin-3-yl]acetohydrazide (PubChem CID 86704134) has the molecular formula C21H17N7O5 and a molecular weight of 447.41 g/mol. Its IUPAC name is 2-(7-methoxyquinolin-4-yl)oxy-N'-[6-(4-nitrophenyl)-1,2,4-triazin-3-yl]acetohydrazide.

Molecular Properties

Compound Name2-(7-methoxyquinolin-4-yl)oxy-N'-[6-(4-nitrophenyl)-1,2,4-triazin-3-yl]acetohydrazide
PubChem CID86704134
Molecular FormulaC21H17N7O5
Molecular Weight447.41 g/mol
Exact Mass447.13
IUPAC Name2-(7-methoxyquinolin-4-yl)oxy-N'-[6-(4-nitrophenyl)-1,2,4-triazin-3-yl]acetohydrazide
SMILESCOc1ccc2c(OCC(=O)NNc3ncc(-c4ccc([N+](=O)[O-])cc4)nn3)ccnc2c1
InChIInChI=1S/C21H17N7O5/c1-32-15-6-7-16-17(10-15)22-9-8-19(16)33-12-20(29)25-27-21-23-11-18(24-26-21)13-2-4-14(5-3-13)28(30)31/h2-11H,12H2,1H3,(H,25,29)(H,23,26,27)
InChIKeyFWRISQHRXOMTAP-UHFFFAOYSA-N
XLogP2.53
TPSA154.29 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.41
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'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-(4-nitrophenyl)-1,2,4-triazin-3-yl]acetohydrazide?
The IUPAC name of 2-(7-methoxyquinolin-4-yl)oxy-N'-[6-(4-nitrophenyl)-1,2,4-triazin-3-yl]acetohydrazide (CID 86704134) is 2-(7-methoxyquinolin-4-yl)oxy-N'-[6-(4-nitrophenyl)-1,2,4-triazin-3-yl]acetohydrazide.
What is the SMILES notation for 2-(7-methoxyquinolin-4-yl)oxy-N'-[6-(4-nitrophenyl)-1,2,4-triazin-3-yl]acetohydrazide?
The canonical SMILES for 2-(7-methoxyquinolin-4-yl)oxy-N'-[6-(4-nitrophenyl)-1,2,4-triazin-3-yl]acetohydrazide is COc1ccc2c(OCC(=O)NNc3ncc(-c4ccc([N+](=O)[O-])cc4)nn3)ccnc2c1.
What is the InChIKey of 2-(7-methoxyquinolin-4-yl)oxy-N'-[6-(4-nitrophenyl)-1,2,4-triazin-3-yl]acetohydrazide?
The InChIKey is FWRISQHRXOMTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N7O5/c1-32-15-6-7-16-17(10-15)22-9-8-19(16)33-12-20(29)25-27-21-23-11-18(24-26-21)13-2-4-14(5-3-13)28(30)31/h2-11H,12H2,1H3,(H,25,29)(H,23,26,27).
What are the key properties of 2-(7-methoxyquinolin-4-yl)oxy-N'-[6-(4-nitrophenyl)-1,2,4-triazin-3-yl]acetohydrazide?
2-(7-methoxyquinolin-4-yl)oxy-N'-[6-(4-nitrophenyl)-1,2,4-triazin-3-yl]acetohydrazide has a molecular weight of 447.41 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxyquinolin-4-yl)oxy-N'-[6-(4-nitrophenyl)-1,2,4-triazin-3-yl]acetohydrazide is sourced from PubChem (CID 86704134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).