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

C19H16FN7O — CID 50915827

IUPAC[(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea
SMILESC/C(=N\NC(N)=O)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1
InChIInChI=1S/C19H16FN7O/c1-11(24-25-19(21)28)16-4-5-18-23-10-14(27(18)26-16)8-13-7-12-3-2-6-22-17(12)9-15(13)20/h2-7,9-10H,8H2,1H3,(H3,21,25,28)/b24-11+
InChIKeyMKXUOJJCQVPIMD-BHGWPJFGSA-N
MW377.38 g/mol
LogP2.40
Rot. Bonds4

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

[(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea (PubChem CID 50915827) has the molecular formula C19H16FN7O and a molecular weight of 377.38 g/mol. Its IUPAC name is [(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea.

Molecular Properties

Compound Name[(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea
PubChem CID50915827
Molecular FormulaC19H16FN7O
Molecular Weight377.38 g/mol
Exact Mass377.14
IUPAC Name[(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea
SMILESC/C(=N\NC(N)=O)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1
InChIInChI=1S/C19H16FN7O/c1-11(24-25-19(21)28)16-4-5-18-23-10-14(27(18)26-16)8-13-7-12-3-2-6-22-17(12)9-15(13)20/h2-7,9-10H,8H2,1H3,(H3,21,25,28)/b24-11+
InChIKeyMKXUOJJCQVPIMD-BHGWPJFGSA-N
XLogP2.40
TPSA110.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 52.40
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-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea?
The IUPAC name of [(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea (CID 50915827) is [(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea.
What is the SMILES notation for [(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea?
The canonical SMILES for [(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea is C/C(=N\NC(N)=O)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1.
What is the InChIKey of [(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea?
The InChIKey is MKXUOJJCQVPIMD-BHGWPJFGSA-N. The full InChI is InChI=1S/C19H16FN7O/c1-11(24-25-19(21)28)16-4-5-18-23-10-14(27(18)26-16)8-13-7-12-3-2-6-22-17(12)9-15(13)20/h2-7,9-10H,8H2,1H3,(H3,21,25,28)/b24-11+.
What are the key properties of [(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea?
[(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea has a molecular weight of 377.38 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea is sourced from PubChem (CID 50915827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).