N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)-2-(7-phenylmethoxyquinolin-4-yl)oxyacetohydrazide

C24H24N8O4 — CID 162515638

IUPACN'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)-2-(7-phenylmethoxyquinolin-4-yl)oxyacetohydrazide
SMILESO=C(COc1ccnc2cc(OCc3ccccc3)ccc12)NNc1nnc(N2CCOCC2)nn1
InChIInChI=1S/C24H24N8O4/c33-22(26-27-23-28-30-24(31-29-23)32-10-12-34-13-11-32)16-36-21-8-9-25-20-14-18(6-7-19(20)21)35-15-17-4-2-1-3-5-17/h1-9,14H,10-13,15-16H2,(H,26,33)(H,27,28,29)
InChIKeySDRPGBVGBNFVGY-UHFFFAOYSA-N
MW488.51 g/mol
LogP1.75
Rot. Bonds9

About N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)-2-(7-phenylmethoxyquinolin-4-yl)oxyacetohydrazide

N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)-2-(7-phenylmethoxyquinolin-4-yl)oxyacetohydrazide (PubChem CID 162515638) has the molecular formula C24H24N8O4 and a molecular weight of 488.51 g/mol. Its IUPAC name is N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)-2-(7-phenylmethoxyquinolin-4-yl)oxyacetohydrazide.

Molecular Properties

Compound NameN'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)-2-(7-phenylmethoxyquinolin-4-yl)oxyacetohydrazide
PubChem CID162515638
Molecular FormulaC24H24N8O4
Molecular Weight488.51 g/mol
Exact Mass488.19
IUPAC NameN'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)-2-(7-phenylmethoxyquinolin-4-yl)oxyacetohydrazide
SMILESO=C(COc1ccnc2cc(OCc3ccccc3)ccc12)NNc1nnc(N2CCOCC2)nn1
InChIInChI=1S/C24H24N8O4/c33-22(26-27-23-28-30-24(31-29-23)32-10-12-34-13-11-32)16-36-21-8-9-25-20-14-18(6-7-19(20)21)35-15-17-4-2-1-3-5-17/h1-9,14H,10-13,15-16H2,(H,26,33)(H,27,28,29)
InChIKeySDRPGBVGBNFVGY-UHFFFAOYSA-N
XLogP1.75
TPSA136.51 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.51
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)-2-(7-phenylmethoxyquinolin-4-yl)oxyacetohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)-2-(7-phenylmethoxyquinolin-4-yl)oxyacetohydrazide?
The IUPAC name of N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)-2-(7-phenylmethoxyquinolin-4-yl)oxyacetohydrazide (CID 162515638) is N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)-2-(7-phenylmethoxyquinolin-4-yl)oxyacetohydrazide.
What is the SMILES notation for N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)-2-(7-phenylmethoxyquinolin-4-yl)oxyacetohydrazide?
The canonical SMILES for N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)-2-(7-phenylmethoxyquinolin-4-yl)oxyacetohydrazide is O=C(COc1ccnc2cc(OCc3ccccc3)ccc12)NNc1nnc(N2CCOCC2)nn1.
What is the InChIKey of N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)-2-(7-phenylmethoxyquinolin-4-yl)oxyacetohydrazide?
The InChIKey is SDRPGBVGBNFVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O4/c33-22(26-27-23-28-30-24(31-29-23)32-10-12-34-13-11-32)16-36-21-8-9-25-20-14-18(6-7-19(20)21)35-15-17-4-2-1-3-5-17/h1-9,14H,10-13,15-16H2,(H,26,33)(H,27,28,29).
What are the key properties of N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)-2-(7-phenylmethoxyquinolin-4-yl)oxyacetohydrazide?
N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)-2-(7-phenylmethoxyquinolin-4-yl)oxyacetohydrazide has a molecular weight of 488.51 g/mol, XLogP of 1.75, 9 rotatable bonds, 2 hydrogen bond donors, and 11 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-phenylmethoxyquinolin-4-yl)oxyacetohydrazide is sourced from PubChem (CID 162515638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).