N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide

C18H17F3N8O3 — CID 162515641

IUPACN'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide
SMILESO=C(COc1ccnc2cc(C(F)(F)F)ccc12)NNc1nnc(N2CCOCC2)nn1
InChIInChI=1S/C18H17F3N8O3/c19-18(20,21)11-1-2-12-13(9-11)22-4-3-14(12)32-10-15(30)23-24-16-25-27-17(28-26-16)29-5-7-31-8-6-29/h1-4,9H,5-8,10H2,(H,23,30)(H,24,25,26)
InChIKeyWQKQWRYUPLWKND-UHFFFAOYSA-N
MW450.38 g/mol
LogP1.19
Rot. Bonds6

About N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide

N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide (PubChem CID 162515641) has the molecular formula C18H17F3N8O3 and a molecular weight of 450.38 g/mol. Its IUPAC name is N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide.

Molecular Properties

Compound NameN'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide
PubChem CID162515641
Molecular FormulaC18H17F3N8O3
Molecular Weight450.38 g/mol
Exact Mass450.14
IUPAC NameN'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide
SMILESO=C(COc1ccnc2cc(C(F)(F)F)ccc12)NNc1nnc(N2CCOCC2)nn1
InChIInChI=1S/C18H17F3N8O3/c19-18(20,21)11-1-2-12-13(9-11)22-4-3-14(12)32-10-15(30)23-24-16-25-27-17(28-26-16)29-5-7-31-8-6-29/h1-4,9H,5-8,10H2,(H,23,30)(H,24,25,26)
InChIKeyWQKQWRYUPLWKND-UHFFFAOYSA-N
XLogP1.19
TPSA127.28 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.38
LogP ≤ 51.19
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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Related Compounds

6-(4-Fluorophenyl)-3-(4-quinolyloxy acetylhydrazino)-1,2,4-triazine
CID 86704155
2-(8-fluoroquinolin-4-yl)oxy-N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)acetohydrazide
CID 162515635
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-[7-(Trifluoromethyl)quinolin-4-yl]oxyacetohydrazide
CID 175784482
2-(6-Morpholin-4-yl-1,2,4,5-tetrazin-3-yl)-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide
CID 175784493
6-Phenyl-3-(4-quinolyloxyacetylhydrazino)-1,2,4-triazine
CID 86704156
6-(4-Methoxyphenyl)-3-(4-quinolyloxyacetylhydrazino)-1,2,4-triazine
CID 86704157
6-(3-Methoxyphenyl)-3-(4-quinolyloxyacetylhydrazino)-1,2,4-triazine
CID 86704160
N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)-2-(7-phenylmethoxyquinolin-4-yl)oxyacetohydrazide
CID 162515638

Frequently Asked Questions

What is the IUPAC name of N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide?
The IUPAC name of N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide (CID 162515641) is N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide.
What is the SMILES notation for N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide?
The canonical SMILES for N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide is O=C(COc1ccnc2cc(C(F)(F)F)ccc12)NNc1nnc(N2CCOCC2)nn1.
What is the InChIKey of N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide?
The InChIKey is WQKQWRYUPLWKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N8O3/c19-18(20,21)11-1-2-12-13(9-11)22-4-3-14(12)32-10-15(30)23-24-16-25-27-17(28-26-16)29-5-7-31-8-6-29/h1-4,9H,5-8,10H2,(H,23,30)(H,24,25,26).
What are the key properties of N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide?
N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide has a molecular weight of 450.38 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide is sourced from PubChem (CID 162515641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).