3-(6-quinolin-5-ylimidazo[1,2-b]pyridazin-3-yl)phenol

C21H14N4O — CID 90479882

IUPAC3-(6-quinolin-5-ylimidazo[1,2-b]pyridazin-3-yl)phenol
SMILESOc1cccc(-c2cnc3ccc(-c4cccc5ncccc45)nn23)c1
InChIInChI=1S/C21H14N4O/c26-15-5-1-4-14(12-15)20-13-23-21-10-9-19(24-25(20)21)17-6-2-8-18-16(17)7-3-11-22-18/h1-13,26H
InChIKeyIMWDHJRKAWUVIW-UHFFFAOYSA-N
MW338.37 g/mol
LogP4.32
Rot. Bonds2

About 3-(6-quinolin-5-ylimidazo[1,2-b]pyridazin-3-yl)phenol

3-(6-quinolin-5-ylimidazo[1,2-b]pyridazin-3-yl)phenol (PubChem CID 90479882) has the molecular formula C21H14N4O and a molecular weight of 338.37 g/mol. Its IUPAC name is 3-(6-quinolin-5-ylimidazo[1,2-b]pyridazin-3-yl)phenol.

Molecular Properties

Compound Name3-(6-quinolin-5-ylimidazo[1,2-b]pyridazin-3-yl)phenol
PubChem CID90479882
Molecular FormulaC21H14N4O
Molecular Weight338.37 g/mol
Exact Mass338.12
IUPAC Name3-(6-quinolin-5-ylimidazo[1,2-b]pyridazin-3-yl)phenol
SMILESOc1cccc(-c2cnc3ccc(-c4cccc5ncccc45)nn23)c1
InChIInChI=1S/C21H14N4O/c26-15-5-1-4-14(12-15)20-13-23-21-10-9-19(24-25(20)21)17-6-2-8-18-16(17)7-3-11-22-18/h1-13,26H
InChIKeyIMWDHJRKAWUVIW-UHFFFAOYSA-N
XLogP4.32
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(6-pyridin-3-ylimidazo[1,2-b]pyridazin-3-yl)phenol
CID 71447485
3-(6-pyridin-4-ylimidazo[1,2-b]pyridazin-3-yl)phenol
CID 126672883
3-[6-[3-(diethylamino)propoxy]imidazo[1,2-b]pyridazin-3-yl]phenol
CID 71154364
3-[6-(3,4-dimethylanilino)imidazo[1,2-b]pyridazin-3-yl]phenol
CID 90393302
N-[3-(6-pyridin-3-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]acetamide
CID 90480157
3,6-bis(3-methylsulfinylphenyl)imidazo[1,2-b]pyridazine
CID 155537745
1-[3-[6-(3-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone
CID 155556179
CID 175088616
CID 175088616
3-[6-(3,4-dimethoxyanilino)imidazo[1,2-b]pyridazin-3-yl]phenol
CID 78427884
1-[4-[4-(3-quinolin-5-ylimidazo[1,2-a]pyridin-7-yl)phenyl]piperazin-1-yl]ethanone
CID 139326849
3-[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]aniline
CID 155551586
3-(6-thiophen-3-ylimidazo[1,2-a]pyrazin-3-yl)phenol
CID 126672810

Frequently Asked Questions

What is the IUPAC name of 3-(6-quinolin-5-ylimidazo[1,2-b]pyridazin-3-yl)phenol?
The IUPAC name of 3-(6-quinolin-5-ylimidazo[1,2-b]pyridazin-3-yl)phenol (CID 90479882) is 3-(6-quinolin-5-ylimidazo[1,2-b]pyridazin-3-yl)phenol.
What is the SMILES notation for 3-(6-quinolin-5-ylimidazo[1,2-b]pyridazin-3-yl)phenol?
The canonical SMILES for 3-(6-quinolin-5-ylimidazo[1,2-b]pyridazin-3-yl)phenol is Oc1cccc(-c2cnc3ccc(-c4cccc5ncccc45)nn23)c1.
What is the InChIKey of 3-(6-quinolin-5-ylimidazo[1,2-b]pyridazin-3-yl)phenol?
The InChIKey is IMWDHJRKAWUVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O/c26-15-5-1-4-14(12-15)20-13-23-21-10-9-19(24-25(20)21)17-6-2-8-18-16(17)7-3-11-22-18/h1-13,26H.
What are the key properties of 3-(6-quinolin-5-ylimidazo[1,2-b]pyridazin-3-yl)phenol?
3-(6-quinolin-5-ylimidazo[1,2-b]pyridazin-3-yl)phenol has a molecular weight of 338.37 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-quinolin-5-ylimidazo[1,2-b]pyridazin-3-yl)phenol is sourced from PubChem (CID 90479882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).