2-[1-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol

C21H20FN5O2 — CID 75596564

IUPAC2-[1-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol
SMILESCC(=NOCCO)c1ccc2ncc(C(C)c3cc4cccnc4cc3F)n2n1
InChIInChI=1S/C21H20FN5O2/c1-13(16-10-15-4-3-7-23-19(15)11-17(16)22)20-12-24-21-6-5-18(25-27(20)21)14(2)26-29-9-8-28/h3-7,10-13,28H,8-9H2,1-2H3
InChIKeyGDAYFDQSHBRCBT-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.30
Rot. Bonds6

About 2-[1-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol

2-[1-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol (PubChem CID 75596564) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is 2-[1-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol.

Molecular Properties

Compound Name2-[1-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol
PubChem CID75596564
Molecular FormulaC21H20FN5O2
Molecular Weight393.42 g/mol
Exact Mass393.16
IUPAC Name2-[1-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol
SMILESCC(=NOCCO)c1ccc2ncc(C(C)c3cc4cccnc4cc3F)n2n1
InChIInChI=1S/C21H20FN5O2/c1-13(16-10-15-4-3-7-23-19(15)11-17(16)22)20-12-24-21-6-5-18(25-27(20)21)14(2)26-29-9-8-28/h3-7,10-13,28H,8-9H2,1-2H3
InChIKeyGDAYFDQSHBRCBT-UHFFFAOYSA-N
XLogP3.30
TPSA84.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.30
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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Related Compounds

2-[(E)-1-[3-[(1R)-1-(7-fluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol
CID 50991631
2-[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol
CID 58190478
6-(1-ethoxyethenyl)-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine
CID 58190523
2-[(E)-1-[3-[(1S)-1-(1,6-dimethylindazol-5-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethylideneamino]oxyethanol
CID 90654052
1-(7-fluoroquinolin-6-yl)ethanol
CID 66927200
3-[1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethylideneamino]oxypropane-1,2-diol
CID 76720074
N-[(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]-1,3-benzoxazol-2-amine
CID 71699876
2-[1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethylideneamino]oxypropan-1-ol
CID 76720055
(Z)-N-methoxy-1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethanimine
CID 86652039
1-[1-[3-[(5,7-difluoroquinolin-6-yl)-hydroxymethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]-1-methylurea
CID 78153609
N'-[1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethenyl]methanesulfonohydrazide
CID 123454196
2-[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyrimidin-6-yl]ethylideneamino]oxyethanol
CID 58190524

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol?
The IUPAC name of 2-[1-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol (CID 75596564) is 2-[1-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol.
What is the SMILES notation for 2-[1-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol?
The canonical SMILES for 2-[1-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol is CC(=NOCCO)c1ccc2ncc(C(C)c3cc4cccnc4cc3F)n2n1.
What is the InChIKey of 2-[1-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol?
The InChIKey is GDAYFDQSHBRCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2/c1-13(16-10-15-4-3-7-23-19(15)11-17(16)22)20-12-24-21-6-5-18(25-27(20)21)14(2)26-29-9-8-28/h3-7,10-13,28H,8-9H2,1-2H3.
What are the key properties of 2-[1-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol?
2-[1-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol has a molecular weight of 393.42 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol is sourced from PubChem (CID 75596564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).