1-Methyl-7-(2-(5-nitro-2-furyl)vinyl)-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate

HCID 5284418

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Basic information

CAS: 24235-63-0
Standard SMILES: Cn1cc(C(=O)O)c(=O)c2ccc(/C=C/c3ccc([N+](=O)[O-])o3)nc21
InChIKey: GHYALFXBRYPUHB-UHFFFAOYSA-N
Molecular formula: C16H11N3O6
Average molar mass: 341.27 g/mol
Monoisotopic mass: 341.06478508

Overview

nitrofurylvinyl analog of nalidixic acid; RN given refers to parent cpd without isomeric designation; structure

Names & identifiers

Preferred name: 1-Methyl-7-(2-(5-nitro-2-furyl)vinyl)-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate
IUPAC: 1-methyl-7-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
English name: 1-methyl-7-(2-(5-nitro-2-furyl)vinyl)-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate
Molecular formula: C16H11N3O6
Molecular weight: 341.27

Names & synonyms

1-Methyl-7-(2-(5-nitro-2-furyl)vinyl)-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate24235-63-0Potassium 1-methyl-7-(2-(5-nitro-2-furyl)vinyl)-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylateRefChem:907692DS-677UNII-QJW99NH53ZQJW99NH53Z1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-1-methyl-7-(2-(5-nitro-2-furyl)vinyl)-4-oxo-, (E)-24366-93-6SCHEMBL30168495Q272873011,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-1-methyl-7-(2-(5-nitro-2-furanyl)ethenyl)-4-oxo-

Show more names

1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-1-methyl-7-[2-(5-nitro-2-furanyl)ethenyl]-4-oxo-

Database identifiers

CAS: 24235-63-0、24366-93-6

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 129 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 3
Heavy atoms: 25
Formal charge: 0
Complexity: 640

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