N-[(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]acetamide

C20H17FN6O — CID 50915989

IUPACN-[(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]acetamide
SMILESCC(=O)N/N=C(\C)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1
InChIInChI=1S/C20H17FN6O/c1-12(24-25-13(2)28)18-5-6-20-23-11-16(27(20)26-18)9-15-8-14-4-3-7-22-19(14)10-17(15)21/h3-8,10-11H,9H2,1-2H3,(H,25,28)/b24-12+
InChIKeyRKAUSQFLQYFIDB-WYMPLXKRSA-N
MW376.40 g/mol
LogP2.87
Rot. Bonds4

About N-[(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]acetamide

N-[(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]acetamide (PubChem CID 50915989) has the molecular formula C20H17FN6O and a molecular weight of 376.40 g/mol. Its IUPAC name is N-[(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]acetamide.

Molecular Properties

Compound NameN-[(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]acetamide
PubChem CID50915989
Molecular FormulaC20H17FN6O
Molecular Weight376.40 g/mol
Exact Mass376.14
IUPAC NameN-[(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]acetamide
SMILESCC(=O)N/N=C(\C)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1
InChIInChI=1S/C20H17FN6O/c1-12(24-25-13(2)28)18-5-6-20-23-11-16(27(20)26-18)9-15-8-14-4-3-7-22-19(14)10-17(15)21/h3-8,10-11H,9H2,1-2H3,(H,25,28)/b24-12+
InChIKeyRKAUSQFLQYFIDB-WYMPLXKRSA-N
XLogP2.87
TPSA84.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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 N-[(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]acetamide?
The IUPAC name of N-[(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]acetamide (CID 50915989) is N-[(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]acetamide.
What is the SMILES notation for N-[(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]acetamide?
The canonical SMILES for N-[(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]acetamide is CC(=O)N/N=C(\C)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1.
What is the InChIKey of N-[(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]acetamide?
The InChIKey is RKAUSQFLQYFIDB-WYMPLXKRSA-N. The full InChI is InChI=1S/C20H17FN6O/c1-12(24-25-13(2)28)18-5-6-20-23-11-16(27(20)26-18)9-15-8-14-4-3-7-22-19(14)10-17(15)21/h3-8,10-11H,9H2,1-2H3,(H,25,28)/b24-12+.
What are the key properties of N-[(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]acetamide?
N-[(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]acetamide has a molecular weight of 376.40 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]acetamide is sourced from PubChem (CID 50915989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).