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

C17H17FN8O3 — CID 175188009

IUPAC2-(6-fluoroquinolin-4-yl)oxy-N'-(6-morpholin-2-yl-1,2,4,5-tetrazin-3-yl)acetohydrazide
SMILESO=C(COc1ccnc2ccc(F)cc12)NNc1nnc(C2CNCCO2)nn1
InChIInChI=1S/C17H17FN8O3/c18-10-1-2-12-11(7-10)13(3-4-20-12)29-9-15(27)21-24-17-25-22-16(23-26-17)14-8-19-5-6-28-14/h1-4,7,14,19H,5-6,8-9H2,(H,21,27)(H,24,25,26)
InChIKeyPICZOMGBYAIVMN-UHFFFAOYSA-N
MW400.37 g/mol
LogP0.14
Rot. Bonds6

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

2-(6-fluoroquinolin-4-yl)oxy-N'-(6-morpholin-2-yl-1,2,4,5-tetrazin-3-yl)acetohydrazide (PubChem CID 175188009) 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-2-yl-1,2,4,5-tetrazin-3-yl)acetohydrazide.

Molecular Properties

Compound Name2-(6-fluoroquinolin-4-yl)oxy-N'-(6-morpholin-2-yl-1,2,4,5-tetrazin-3-yl)acetohydrazide
PubChem CID175188009
Molecular FormulaC17H17FN8O3
Molecular Weight400.37 g/mol
Exact Mass400.14
IUPAC Name2-(6-fluoroquinolin-4-yl)oxy-N'-(6-morpholin-2-yl-1,2,4,5-tetrazin-3-yl)acetohydrazide
SMILESO=C(COc1ccnc2ccc(F)cc12)NNc1nnc(C2CNCCO2)nn1
InChIInChI=1S/C17H17FN8O3/c18-10-1-2-12-11(7-10)13(3-4-20-12)29-9-15(27)21-24-17-25-22-16(23-26-17)14-8-19-5-6-28-14/h1-4,7,14,19H,5-6,8-9H2,(H,21,27)(H,24,25,26)
InChIKeyPICZOMGBYAIVMN-UHFFFAOYSA-N
XLogP0.14
TPSA136.07 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.37
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'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-2-yl-1,2,4,5-tetrazin-3-yl)acetohydrazide?
The IUPAC name of 2-(6-fluoroquinolin-4-yl)oxy-N'-(6-morpholin-2-yl-1,2,4,5-tetrazin-3-yl)acetohydrazide (CID 175188009) is 2-(6-fluoroquinolin-4-yl)oxy-N'-(6-morpholin-2-yl-1,2,4,5-tetrazin-3-yl)acetohydrazide.
What is the SMILES notation for 2-(6-fluoroquinolin-4-yl)oxy-N'-(6-morpholin-2-yl-1,2,4,5-tetrazin-3-yl)acetohydrazide?
The canonical SMILES for 2-(6-fluoroquinolin-4-yl)oxy-N'-(6-morpholin-2-yl-1,2,4,5-tetrazin-3-yl)acetohydrazide is O=C(COc1ccnc2ccc(F)cc12)NNc1nnc(C2CNCCO2)nn1.
What is the InChIKey of 2-(6-fluoroquinolin-4-yl)oxy-N'-(6-morpholin-2-yl-1,2,4,5-tetrazin-3-yl)acetohydrazide?
The InChIKey is PICZOMGBYAIVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN8O3/c18-10-1-2-12-11(7-10)13(3-4-20-12)29-9-15(27)21-24-17-25-22-16(23-26-17)14-8-19-5-6-28-14/h1-4,7,14,19H,5-6,8-9H2,(H,21,27)(H,24,25,26).
What are the key properties of 2-(6-fluoroquinolin-4-yl)oxy-N'-(6-morpholin-2-yl-1,2,4,5-tetrazin-3-yl)acetohydrazide?
2-(6-fluoroquinolin-4-yl)oxy-N'-(6-morpholin-2-yl-1,2,4,5-tetrazin-3-yl)acetohydrazide has a molecular weight of 400.37 g/mol, XLogP of 0.14, 6 rotatable bonds, 3 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-2-yl-1,2,4,5-tetrazin-3-yl)acetohydrazide is sourced from PubChem (CID 175188009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).