7-Amino-9-(5-methylfuran-2-yl)-6-oxobenzo[c]chromene-8-carbonitrile

HCID 178696245

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Basic information

CAS: 723740-13-4
Standard SMILES: Cc1ccc(-c2cc3c(c(N)c2C#N)c(=O)oc2ccccc23)o1
InChIKey: SXPIVQIIOOZJAC-UHFFFAOYSA-N
Molecular formula: C19H12N2O3
Average molar mass: 316.3 g/mol
Monoisotopic mass: 316.08479225

Names & identifiers

Preferred name: 7-Amino-9-(5-methylfuran-2-yl)-6-oxobenzo[c]chromene-8-carbonitrile
IUPAC: 7-amino-9-(5-methylfuran-2-yl)-6-oxobenzo[c]chromene-8-carbonitrile
English name: 7-amino-9-(5-methyl-2-furyl)-6-oxo-6H-benzo[c]chromene-8-carbonitrile
Molecular formula: C19H12N2O3
Molecular weight: 316.31018

Names & synonyms

7-amino-9-(5-methyl-2-furyl)-6-oxo-6H-benzo[c]chromene-8-carbonitrileCHEMBL23756877-amino-9-(5-methylfuran-2-yl)-6-oxobenzo[c]chromene-8-carbonitrileAO-476/42871114

Database identifiers

CAS: 723740-13-4
PubChem CID: 848968
ChEMBL: CHEMBL2375687

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 89.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 24
Formal charge: 0
Complexity: 556

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