2-(8-fluoroquinolin-4-yl)oxy-N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)acetohydrazide

C17H17FN8O3 — CID 162515635

IUPAC2-(8-fluoroquinolin-4-yl)oxy-N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)acetohydrazide
SMILESO=C(COc1ccnc2c(F)cccc12)NNc1nnc(N2CCOCC2)nn1
InChIInChI=1S/C17H17FN8O3/c18-12-3-1-2-11-13(4-5-19-15(11)12)29-10-14(27)20-21-16-22-24-17(25-23-16)26-6-8-28-9-7-26/h1-5H,6-10H2,(H,20,27)(H,21,22,23)
InChIKeyYZATZRCLZPVNEO-UHFFFAOYSA-N
MW400.37 g/mol
LogP0.31
Rot. Bonds6

About 2-(8-fluoroquinolin-4-yl)oxy-N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)acetohydrazide

2-(8-fluoroquinolin-4-yl)oxy-N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)acetohydrazide (PubChem CID 162515635) has the molecular formula C17H17FN8O3 and a molecular weight of 400.37 g/mol. Its IUPAC name is 2-(8-fluoroquinolin-4-yl)oxy-N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)acetohydrazide.

Molecular Properties

Compound Name2-(8-fluoroquinolin-4-yl)oxy-N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)acetohydrazide
PubChem CID162515635
Molecular FormulaC17H17FN8O3
Molecular Weight400.37 g/mol
Exact Mass400.14
IUPAC Name2-(8-fluoroquinolin-4-yl)oxy-N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)acetohydrazide
SMILESO=C(COc1ccnc2c(F)cccc12)NNc1nnc(N2CCOCC2)nn1
InChIInChI=1S/C17H17FN8O3/c18-12-3-1-2-11-13(4-5-19-15(11)12)29-10-14(27)20-21-16-22-24-17(25-23-16)26-6-8-28-9-7-26/h1-5H,6-10H2,(H,20,27)(H,21,22,23)
InChIKeyYZATZRCLZPVNEO-UHFFFAOYSA-N
XLogP0.31
TPSA127.28 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.37
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(8-fluoroquinolin-4-yl)oxy-N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)acetohydrazide with MolForge

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Related Compounds

N-phenyl-2-[(8-quinolinyloxy)acetyl]hydrazinecarboxamide
CID 2981274
6-(4-Fluorophenyl)-3-[(7-methoxy-4-quinolyl)oxyacetylhydrazino]-1,2,4-triazine
CID 86704126
6-(4-Fluorophenyl)-3-(4-quinolyloxy acetylhydrazino)-1,2,4-triazine
CID 86704155
N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide
CID 162515641
2-(6-fluoroquinolin-4-yl)oxy-N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)acetohydrazide
CID 162515645
2-(8-fluoroquinolin-4-yl)oxy-N'-(6-morpholin-2-yl-1,2,4,5-tetrazin-3-yl)acetohydrazide
CID 175183422
2-(6-fluoroquinolin-4-yl)oxy-N'-(6-morpholin-2-yl-1,2,4,5-tetrazin-3-yl)acetohydrazide
CID 175188009
N'-(6-morpholin-2-yl-1,2,4,5-tetrazin-3-yl)-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide
CID 175191629
2-(6-Morpholin-4-yl-1,2,4,5-tetrazin-3-yl)-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide
CID 175784493
2-(6-Fluoro-8-methylquinolin-4-yl)oxyacetohydrazide
CID 54772781
2-(5,8-Difluoroquinolin-4-yl)oxyacetohydrazide
CID 54772874
2-(5-Fluoro-8-methylquinolin-4-yl)oxyacetohydrazide
CID 54772896

Frequently Asked Questions

What is the IUPAC name of 2-(8-fluoroquinolin-4-yl)oxy-N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)acetohydrazide?
The IUPAC name of 2-(8-fluoroquinolin-4-yl)oxy-N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)acetohydrazide (CID 162515635) is 2-(8-fluoroquinolin-4-yl)oxy-N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)acetohydrazide.
What is the SMILES notation for 2-(8-fluoroquinolin-4-yl)oxy-N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)acetohydrazide?
The canonical SMILES for 2-(8-fluoroquinolin-4-yl)oxy-N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)acetohydrazide is O=C(COc1ccnc2c(F)cccc12)NNc1nnc(N2CCOCC2)nn1.
What is the InChIKey of 2-(8-fluoroquinolin-4-yl)oxy-N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)acetohydrazide?
The InChIKey is YZATZRCLZPVNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN8O3/c18-12-3-1-2-11-13(4-5-19-15(11)12)29-10-14(27)20-21-16-22-24-17(25-23-16)26-6-8-28-9-7-26/h1-5H,6-10H2,(H,20,27)(H,21,22,23).
What are the key properties of 2-(8-fluoroquinolin-4-yl)oxy-N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)acetohydrazide?
2-(8-fluoroquinolin-4-yl)oxy-N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)acetohydrazide has a molecular weight of 400.37 g/mol, XLogP of 0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-fluoroquinolin-4-yl)oxy-N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)acetohydrazide is sourced from PubChem (CID 162515635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).