6-Methoxy-8-(4-methyl-piperazin-1-yl)-4-oxo-4h-chromene-2-carboxylic acid

HCID 22142185

Notes Reactions

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Basic information

Standard SMILES: COc1cc(N2CCN(C)CC2)c2oc(C(=O)O)cc(=O)c2c1
InChIKey: LJCVQZKMKTWSLM-UHFFFAOYSA-N
Molecular formula: C16H18N2O5
Average molar mass: 318.32 g/mol

Names & identifiers

Preferred name: 6-Methoxy-8-(4-methyl-piperazin-1-yl)-4-oxo-4h-chromene-2-carboxylic acid
IUPAC: 6-methoxy-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxylic acid

Names & synonyms

SCHEMBL4985501LJCVQZKMKTWSLM-UHFFFAOYSA-N6-methoxy-8-(4-methyl-piperazin-1-yl)-4-oxo-4h-chromene-2-carboxylic acid735258-97-6DB-2966166-Methoxy-8-(4-methyl-piperazin 1-yl)-4-oxo-4H-chromene-2-carboxylic Acid

Database identifiers

PubChem CID: 22142185

Properties

Computed structural properties

XLogP: -1.1
Topological polar surface area: 79.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 3
Heavy atoms: 23
Formal charge: 0
Complexity: 513

Related reactions

5 records

New reaction record

HRID 146691As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 820419As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1123499As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1141873As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1224992As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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