1-[(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]imidazolidine-2,4-dione

C21H16FN7O2 — CID 71699875

IUPAC1-[(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]imidazolidine-2,4-dione
SMILESC/C(=N\N1CC(=O)NC1=O)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1
InChIInChI=1S/C21H16FN7O2/c1-12(26-28-11-20(30)25-21(28)31)17-4-5-19-24-10-15(29(19)27-17)8-14-7-13-3-2-6-23-18(13)9-16(14)22/h2-7,9-10H,8,11H2,1H3,(H,25,30,31)/b26-12+
InChIKeyGYBXBRFBBXYUCN-RPPGKUMJSA-N
MW417.40 g/mol
LogP2.28
Rot. Bonds4

About 1-[(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]imidazolidine-2,4-dione

1-[(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]imidazolidine-2,4-dione (PubChem CID 71699875) has the molecular formula C21H16FN7O2 and a molecular weight of 417.40 g/mol. Its IUPAC name is 1-[(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]imidazolidine-2,4-dione
PubChem CID71699875
Molecular FormulaC21H16FN7O2
Molecular Weight417.40 g/mol
Exact Mass417.13
IUPAC Name1-[(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]imidazolidine-2,4-dione
SMILESC/C(=N\N1CC(=O)NC1=O)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1
InChIInChI=1S/C21H16FN7O2/c1-12(26-28-11-20(30)25-21(28)31)17-4-5-19-24-10-15(29(19)27-17)8-14-7-13-3-2-6-23-18(13)9-16(14)22/h2-7,9-10H,8,11H2,1H3,(H,25,30,31)/b26-12+
InChIKeyGYBXBRFBBXYUCN-RPPGKUMJSA-N
XLogP2.28
TPSA104.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]imidazolidine-2,4-dione?
The IUPAC name of 1-[(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]imidazolidine-2,4-dione (CID 71699875) is 1-[(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]imidazolidine-2,4-dione?
The canonical SMILES for 1-[(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]imidazolidine-2,4-dione is C/C(=N\N1CC(=O)NC1=O)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1.
What is the InChIKey of 1-[(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]imidazolidine-2,4-dione?
The InChIKey is GYBXBRFBBXYUCN-RPPGKUMJSA-N. The full InChI is InChI=1S/C21H16FN7O2/c1-12(26-28-11-20(30)25-21(28)31)17-4-5-19-24-10-15(29(19)27-17)8-14-7-13-3-2-6-23-18(13)9-16(14)22/h2-7,9-10H,8,11H2,1H3,(H,25,30,31)/b26-12+.
What are the key properties of 1-[(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]imidazolidine-2,4-dione?
1-[(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]imidazolidine-2,4-dione has a molecular weight of 417.40 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]imidazolidine-2,4-dione is sourced from PubChem (CID 71699875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).