N-hydroxy-2-[(E)-2-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)ethenyl]quinoline-5-carboxamide

C22H20N6O3 — CID 136942075

IUPACN-hydroxy-2-[(E)-2-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)ethenyl]quinoline-5-carboxamide
SMILESO=C(NO)c1cccc2nc(/C=C/c3cn4nccc(N5CCOCC5)c4n3)ccc12
InChIInChI=1S/C22H20N6O3/c29-22(26-30)18-2-1-3-19-17(18)7-6-15(24-19)4-5-16-14-28-21(25-16)20(8-9-23-28)27-10-12-31-13-11-27/h1-9,14,30H,10-13H2,(H,26,29)/b5-4+
InChIKeyHGVBBZBMZBIBLI-SNAWJCMRSA-N
MW416.44 g/mol
LogP2.40
Rot. Bonds4

About N-hydroxy-2-[(E)-2-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)ethenyl]quinoline-5-carboxamide

N-hydroxy-2-[(E)-2-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)ethenyl]quinoline-5-carboxamide (PubChem CID 136942075) has the molecular formula C22H20N6O3 and a molecular weight of 416.44 g/mol. Its IUPAC name is N-hydroxy-2-[(E)-2-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)ethenyl]quinoline-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[(E)-2-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)ethenyl]quinoline-5-carboxamide
PubChem CID136942075
Molecular FormulaC22H20N6O3
Molecular Weight416.44 g/mol
Exact Mass416.16
IUPAC NameN-hydroxy-2-[(E)-2-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)ethenyl]quinoline-5-carboxamide
SMILESO=C(NO)c1cccc2nc(/C=C/c3cn4nccc(N5CCOCC5)c4n3)ccc12
InChIInChI=1S/C22H20N6O3/c29-22(26-30)18-2-1-3-19-17(18)7-6-15(24-19)4-5-16-14-28-21(25-16)20(8-9-23-28)27-10-12-31-13-11-27/h1-9,14,30H,10-13H2,(H,26,29)/b5-4+
InChIKeyHGVBBZBMZBIBLI-SNAWJCMRSA-N
XLogP2.40
TPSA104.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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 N-hydroxy-2-[(E)-2-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)ethenyl]quinoline-5-carboxamide?
The IUPAC name of N-hydroxy-2-[(E)-2-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)ethenyl]quinoline-5-carboxamide (CID 136942075) is N-hydroxy-2-[(E)-2-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)ethenyl]quinoline-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[(E)-2-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)ethenyl]quinoline-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[(E)-2-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)ethenyl]quinoline-5-carboxamide is O=C(NO)c1cccc2nc(/C=C/c3cn4nccc(N5CCOCC5)c4n3)ccc12.
What is the InChIKey of N-hydroxy-2-[(E)-2-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)ethenyl]quinoline-5-carboxamide?
The InChIKey is HGVBBZBMZBIBLI-SNAWJCMRSA-N. The full InChI is InChI=1S/C22H20N6O3/c29-22(26-30)18-2-1-3-19-17(18)7-6-15(24-19)4-5-16-14-28-21(25-16)20(8-9-23-28)27-10-12-31-13-11-27/h1-9,14,30H,10-13H2,(H,26,29)/b5-4+.
What are the key properties of N-hydroxy-2-[(E)-2-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)ethenyl]quinoline-5-carboxamide?
N-hydroxy-2-[(E)-2-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)ethenyl]quinoline-5-carboxamide has a molecular weight of 416.44 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[(E)-2-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)ethenyl]quinoline-5-carboxamide is sourced from PubChem (CID 136942075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).