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

C19H15FN4O2 — CID 66927034

IUPAC1-[3-[1-(7-fluoroquinolin-6-yl)-1-hydroxyethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone
SMILESCC(=O)c1ccc2ncc(C(C)(O)c3cc4cccnc4cc3F)n2n1
InChIInChI=1S/C19H15FN4O2/c1-11(25)15-5-6-18-22-10-17(24(18)23-15)19(2,26)13-8-12-4-3-7-21-16(12)9-14(13)20/h3-10,26H,1-2H3
InChIKeyJKCMWOWDKJTNKV-UHFFFAOYSA-N
MW350.35 g/mol
LogP2.88
Rot. Bonds3

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

1-[3-[1-(7-fluoroquinolin-6-yl)-1-hydroxyethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone (PubChem CID 66927034) has the molecular formula C19H15FN4O2 and a molecular weight of 350.35 g/mol. Its IUPAC name is 1-[3-[1-(7-fluoroquinolin-6-yl)-1-hydroxyethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone.

Molecular Properties

Compound Name1-[3-[1-(7-fluoroquinolin-6-yl)-1-hydroxyethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone
PubChem CID66927034
Molecular FormulaC19H15FN4O2
Molecular Weight350.35 g/mol
Exact Mass350.12
IUPAC Name1-[3-[1-(7-fluoroquinolin-6-yl)-1-hydroxyethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone
SMILESCC(=O)c1ccc2ncc(C(C)(O)c3cc4cccnc4cc3F)n2n1
InChIInChI=1S/C19H15FN4O2/c1-11(25)15-5-6-18-22-10-17(24(18)23-15)19(2,26)13-8-12-4-3-7-21-16(12)9-14(13)20/h3-10,26H,1-2H3
InChIKeyJKCMWOWDKJTNKV-UHFFFAOYSA-N
XLogP2.88
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(7-fluoroquinolin-6-yl)-1-hydroxyethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone?
The IUPAC name of 1-[3-[1-(7-fluoroquinolin-6-yl)-1-hydroxyethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone (CID 66927034) is 1-[3-[1-(7-fluoroquinolin-6-yl)-1-hydroxyethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone.
What is the SMILES notation for 1-[3-[1-(7-fluoroquinolin-6-yl)-1-hydroxyethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone?
The canonical SMILES for 1-[3-[1-(7-fluoroquinolin-6-yl)-1-hydroxyethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone is CC(=O)c1ccc2ncc(C(C)(O)c3cc4cccnc4cc3F)n2n1.
What is the InChIKey of 1-[3-[1-(7-fluoroquinolin-6-yl)-1-hydroxyethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone?
The InChIKey is JKCMWOWDKJTNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O2/c1-11(25)15-5-6-18-22-10-17(24(18)23-15)19(2,26)13-8-12-4-3-7-21-16(12)9-14(13)20/h3-10,26H,1-2H3.
What are the key properties of 1-[3-[1-(7-fluoroquinolin-6-yl)-1-hydroxyethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone?
1-[3-[1-(7-fluoroquinolin-6-yl)-1-hydroxyethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone has a molecular weight of 350.35 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(7-fluoroquinolin-6-yl)-1-hydroxyethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone is sourced from PubChem (CID 66927034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).