[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea

C19H17N7O — CID 71699881

IUPAC[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea
SMILESC/C(=N\NC(N)=O)c1ccc2ncc(Cc3ccc4ncccc4c3)n2n1
InChIInChI=1S/C19H17N7O/c1-12(23-24-19(20)27)16-6-7-18-22-11-15(26(18)25-16)10-13-4-5-17-14(9-13)3-2-8-21-17/h2-9,11H,10H2,1H3,(H3,20,24,27)/b23-12+
InChIKeyRYZLDDPPUZHYQQ-FSJBWODESA-N
MW359.39 g/mol
LogP2.26
Rot. Bonds4

About [(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea

[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea (PubChem CID 71699881) has the molecular formula C19H17N7O and a molecular weight of 359.39 g/mol. Its IUPAC name is [(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea.

Molecular Properties

Compound Name[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea
PubChem CID71699881
Molecular FormulaC19H17N7O
Molecular Weight359.39 g/mol
Exact Mass359.15
IUPAC Name[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea
SMILESC/C(=N\NC(N)=O)c1ccc2ncc(Cc3ccc4ncccc4c3)n2n1
InChIInChI=1S/C19H17N7O/c1-12(23-24-19(20)27)16-6-7-18-22-11-15(26(18)25-16)10-13-4-5-17-14(9-13)3-2-8-21-17/h2-9,11H,10H2,1H3,(H3,20,24,27)/b23-12+
InChIKeyRYZLDDPPUZHYQQ-FSJBWODESA-N
XLogP2.26
TPSA110.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.26
H-Bond Donors ≤ 52
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 [(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea?
The IUPAC name of [(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea (CID 71699881) is [(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea.
What is the SMILES notation for [(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea?
The canonical SMILES for [(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea is C/C(=N\NC(N)=O)c1ccc2ncc(Cc3ccc4ncccc4c3)n2n1.
What is the InChIKey of [(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea?
The InChIKey is RYZLDDPPUZHYQQ-FSJBWODESA-N. The full InChI is InChI=1S/C19H17N7O/c1-12(23-24-19(20)27)16-6-7-18-22-11-15(26(18)25-16)10-13-4-5-17-14(9-13)3-2-8-21-17/h2-9,11H,10H2,1H3,(H3,20,24,27)/b23-12+.
What are the key properties of [(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea?
[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea has a molecular weight of 359.39 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea is sourced from PubChem (CID 71699881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).