2-(furan-2-ylmethylamino)pyridazino[6,1-b]quinazolin-10-one

C16H12N4O2 — CID 3243853

IUPAC2-(furan-2-ylmethylamino)pyridazino[6,1-b]quinazolin-10-one
SMILESO=c1c2ccccc2nc2ccc(NCc3ccco3)nn12
InChIInChI=1S/C16H12N4O2/c21-16-12-5-1-2-6-13(12)18-15-8-7-14(19-20(15)16)17-10-11-4-3-9-22-11/h1-9H,10H2,(H,17,19)
InChIKeyAFLJNINVGDQBOC-UHFFFAOYSA-N
MW292.30 g/mol
LogP2.45
Rot. Bonds3

About 2-(furan-2-ylmethylamino)pyridazino[6,1-b]quinazolin-10-one

2-(furan-2-ylmethylamino)pyridazino[6,1-b]quinazolin-10-one (PubChem CID 3243853) has the molecular formula C16H12N4O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 2-(furan-2-ylmethylamino)pyridazino[6,1-b]quinazolin-10-one.

Molecular Properties

Compound Name2-(furan-2-ylmethylamino)pyridazino[6,1-b]quinazolin-10-one
PubChem CID3243853
Molecular FormulaC16H12N4O2
Molecular Weight292.30 g/mol
Exact Mass292.10
IUPAC Name2-(furan-2-ylmethylamino)pyridazino[6,1-b]quinazolin-10-one
SMILESO=c1c2ccccc2nc2ccc(NCc3ccco3)nn12
InChIInChI=1S/C16H12N4O2/c21-16-12-5-1-2-6-13(12)18-15-8-7-14(19-20(15)16)17-10-11-4-3-9-22-11/h1-9H,10H2,(H,17,19)
InChIKeyAFLJNINVGDQBOC-UHFFFAOYSA-N
XLogP2.45
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylamino)pyridazino[6,1-b]quinazolin-10-one?
The IUPAC name of 2-(furan-2-ylmethylamino)pyridazino[6,1-b]quinazolin-10-one (CID 3243853) is 2-(furan-2-ylmethylamino)pyridazino[6,1-b]quinazolin-10-one.
What is the SMILES notation for 2-(furan-2-ylmethylamino)pyridazino[6,1-b]quinazolin-10-one?
The canonical SMILES for 2-(furan-2-ylmethylamino)pyridazino[6,1-b]quinazolin-10-one is O=c1c2ccccc2nc2ccc(NCc3ccco3)nn12.
What is the InChIKey of 2-(furan-2-ylmethylamino)pyridazino[6,1-b]quinazolin-10-one?
The InChIKey is AFLJNINVGDQBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2/c21-16-12-5-1-2-6-13(12)18-15-8-7-14(19-20(15)16)17-10-11-4-3-9-22-11/h1-9H,10H2,(H,17,19).
What are the key properties of 2-(furan-2-ylmethylamino)pyridazino[6,1-b]quinazolin-10-one?
2-(furan-2-ylmethylamino)pyridazino[6,1-b]quinazolin-10-one has a molecular weight of 292.30 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylamino)pyridazino[6,1-b]quinazolin-10-one is sourced from PubChem (CID 3243853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).