1-[3-[(7-fluoroquinolin-6-yl)-hydroxymethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone

C18H13FN4O2 — CID 66927089

IUPAC1-[3-[(7-fluoroquinolin-6-yl)-hydroxymethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone
SMILESCC(=O)c1ccc2ncc(C(O)c3cc4cccnc4cc3F)n2n1
InChIInChI=1S/C18H13FN4O2/c1-10(24)14-4-5-17-21-9-16(23(17)22-14)18(25)12-7-11-3-2-6-20-15(11)8-13(12)19/h2-9,18,25H,1H3
InChIKeyVFYZVLOYJLPUBW-UHFFFAOYSA-N
MW336.33 g/mol
LogP2.70
Rot. Bonds3

About 1-[3-[(7-fluoroquinolin-6-yl)-hydroxymethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone

1-[3-[(7-fluoroquinolin-6-yl)-hydroxymethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone (PubChem CID 66927089) has the molecular formula C18H13FN4O2 and a molecular weight of 336.33 g/mol. Its IUPAC name is 1-[3-[(7-fluoroquinolin-6-yl)-hydroxymethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone.

Molecular Properties

Compound Name1-[3-[(7-fluoroquinolin-6-yl)-hydroxymethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone
PubChem CID66927089
Molecular FormulaC18H13FN4O2
Molecular Weight336.33 g/mol
Exact Mass336.10
IUPAC Name1-[3-[(7-fluoroquinolin-6-yl)-hydroxymethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone
SMILESCC(=O)c1ccc2ncc(C(O)c3cc4cccnc4cc3F)n2n1
InChIInChI=1S/C18H13FN4O2/c1-10(24)14-4-5-17-21-9-16(23(17)22-14)18(25)12-7-11-3-2-6-20-15(11)8-13(12)19/h2-9,18,25H,1H3
InChIKeyVFYZVLOYJLPUBW-UHFFFAOYSA-N
XLogP2.70
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(7-fluoroquinolin-6-yl)-hydroxymethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone?
The IUPAC name of 1-[3-[(7-fluoroquinolin-6-yl)-hydroxymethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone (CID 66927089) is 1-[3-[(7-fluoroquinolin-6-yl)-hydroxymethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone.
What is the SMILES notation for 1-[3-[(7-fluoroquinolin-6-yl)-hydroxymethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone?
The canonical SMILES for 1-[3-[(7-fluoroquinolin-6-yl)-hydroxymethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone is CC(=O)c1ccc2ncc(C(O)c3cc4cccnc4cc3F)n2n1.
What is the InChIKey of 1-[3-[(7-fluoroquinolin-6-yl)-hydroxymethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone?
The InChIKey is VFYZVLOYJLPUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O2/c1-10(24)14-4-5-17-21-9-16(23(17)22-14)18(25)12-7-11-3-2-6-20-15(11)8-13(12)19/h2-9,18,25H,1H3.
What are the key properties of 1-[3-[(7-fluoroquinolin-6-yl)-hydroxymethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone?
1-[3-[(7-fluoroquinolin-6-yl)-hydroxymethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone has a molecular weight of 336.33 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(7-fluoroquinolin-6-yl)-hydroxymethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone is sourced from PubChem (CID 66927089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).