2-[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol

C20H19N5O2 — CID 58190478

IUPAC2-[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol
SMILESC/C(=N\OCCO)c1ccc2ncc(Cc3ccc4ncccc4c3)n2n1
InChIInChI=1S/C20H19N5O2/c1-14(24-27-10-9-26)18-6-7-20-22-13-17(25(20)23-18)12-15-4-5-19-16(11-15)3-2-8-21-19/h2-8,11,13,26H,9-10,12H2,1H3/b24-14+
InChIKeyDBLFSQIPRXMADV-ZVHZXABRSA-N
MW361.41 g/mol
LogP2.60
Rot. Bonds6

About 2-[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol

2-[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol (PubChem CID 58190478) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 2-[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol.

Molecular Properties

Compound Name2-[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol
PubChem CID58190478
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name2-[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol
SMILESC/C(=N\OCCO)c1ccc2ncc(Cc3ccc4ncccc4c3)n2n1
InChIInChI=1S/C20H19N5O2/c1-14(24-27-10-9-26)18-6-7-20-22-13-17(25(20)23-18)12-15-4-5-19-16(11-15)3-2-8-21-19/h2-8,11,13,26H,9-10,12H2,1H3/b24-14+
InChIKeyDBLFSQIPRXMADV-ZVHZXABRSA-N
XLogP2.60
TPSA84.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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-[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol?
The IUPAC name of 2-[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol (CID 58190478) is 2-[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol.
What is the SMILES notation for 2-[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol?
The canonical SMILES for 2-[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol is C/C(=N\OCCO)c1ccc2ncc(Cc3ccc4ncccc4c3)n2n1.
What is the InChIKey of 2-[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol?
The InChIKey is DBLFSQIPRXMADV-ZVHZXABRSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-14(24-27-10-9-26)18-6-7-20-22-13-17(25(20)23-18)12-15-4-5-19-16(11-15)3-2-8-21-19/h2-8,11,13,26H,9-10,12H2,1H3/b24-14+.
What are the key properties of 2-[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol?
2-[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol has a molecular weight of 361.41 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol is sourced from PubChem (CID 58190478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).