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

C17H17FN8O3 — CID 162515645

IUPAC2-(6-fluoroquinolin-4-yl)oxy-N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)acetohydrazide
SMILESO=C(COc1ccnc2ccc(F)cc12)NNc1nnc(N2CCOCC2)nn1
InChIInChI=1S/C17H17FN8O3/c18-11-1-2-13-12(9-11)14(3-4-19-13)29-10-15(27)20-21-16-22-24-17(25-23-16)26-5-7-28-8-6-26/h1-4,9H,5-8,10H2,(H,20,27)(H,21,22,23)
InChIKeyYCJOHFGQRXCHIS-UHFFFAOYSA-N
MW400.37 g/mol
LogP0.31
Rot. Bonds6

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

2-(6-fluoroquinolin-4-yl)oxy-N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)acetohydrazide (PubChem CID 162515645) has the molecular formula C17H17FN8O3 and a molecular weight of 400.37 g/mol. Its IUPAC name is 2-(6-fluoroquinolin-4-yl)oxy-N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)acetohydrazide.

Molecular Properties

Compound Name2-(6-fluoroquinolin-4-yl)oxy-N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)acetohydrazide
PubChem CID162515645
Molecular FormulaC17H17FN8O3
Molecular Weight400.37 g/mol
Exact Mass400.14
IUPAC Name2-(6-fluoroquinolin-4-yl)oxy-N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)acetohydrazide
SMILESO=C(COc1ccnc2ccc(F)cc12)NNc1nnc(N2CCOCC2)nn1
InChIInChI=1S/C17H17FN8O3/c18-11-1-2-13-12(9-11)14(3-4-19-13)29-10-15(27)20-21-16-22-24-17(25-23-16)26-5-7-28-8-6-26/h1-4,9H,5-8,10H2,(H,20,27)(H,21,22,23)
InChIKeyYCJOHFGQRXCHIS-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoroquinolin-4-yl)oxy-N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)acetohydrazide?
The IUPAC name of 2-(6-fluoroquinolin-4-yl)oxy-N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)acetohydrazide (CID 162515645) is 2-(6-fluoroquinolin-4-yl)oxy-N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)acetohydrazide.
What is the SMILES notation for 2-(6-fluoroquinolin-4-yl)oxy-N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)acetohydrazide?
The canonical SMILES for 2-(6-fluoroquinolin-4-yl)oxy-N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)acetohydrazide is O=C(COc1ccnc2ccc(F)cc12)NNc1nnc(N2CCOCC2)nn1.
What is the InChIKey of 2-(6-fluoroquinolin-4-yl)oxy-N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)acetohydrazide?
The InChIKey is YCJOHFGQRXCHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN8O3/c18-11-1-2-13-12(9-11)14(3-4-19-13)29-10-15(27)20-21-16-22-24-17(25-23-16)26-5-7-28-8-6-26/h1-4,9H,5-8,10H2,(H,20,27)(H,21,22,23).
What are the key properties of 2-(6-fluoroquinolin-4-yl)oxy-N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)acetohydrazide?
2-(6-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-(6-fluoroquinolin-4-yl)oxy-N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)acetohydrazide is sourced from PubChem (CID 162515645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).