5,8-Dihydro-6-hydroxy-2-(2-nitrophenyl)-5,8-dioxo-7-quinolinecarbonitrile

HCID 149162

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Basic information

CAS: 102072-86-6
Standard SMILES: N#CC1=C(O)c2nc(-c3ccccc3[N+](=O)[O-])ccc2C(=O)C1=O
InChIKey: YCOIUWHSSNMMQP-UHFFFAOYSA-N
Molecular formula: C16H7N3O5
Average molar mass: 321.24 g/mol
Monoisotopic mass: 321.03857033

Names & identifiers

Preferred name: 5,8-Dihydro-6-hydroxy-2-(2-nitrophenyl)-5,8-dioxo-7-quinolinecarbonitrile
IUPAC: 8-hydroxy-2-(2-nitrophenyl)-5,6-dioxoquinoline-7-carbonitrile

Names & synonyms

102072-86-65,8-Dihydro-6-hydroxy-2-(2-nitrophenyl)-5,8-dioxo-7-quinolinecarbonitrileDTXSID509070757-Quinolinecarbonitrile, 5,8-dihydro-6-hydroxy-2-(2-nitrophenyl)-5,8-dioxo-8-Hydroxy-2-(2-nitrophenyl)-5,6-dioxo-5,6-dihydroquinoline-7-carbonitrile

Database identifiers

CAS: 102072-86-6
PubChem CID: 149162
DTXSID: DTXSID50907075

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 137 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 1
Heavy atoms: 24
Formal charge: 0
Complexity: 671

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