4-(4-(2-Methoxyphenyl)piperazin-1-yl)butyl 2-oxo-1,2,3,4-tetrahydroquinoline-7-carboxylate

HCID 57420177
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Basic information

Standard SMILES
COc1ccccc1N1CCN(CCCCOC(=O)c2ccc3c(c2)NC(=O)CC3)CC1
InChIKey
IZKCXXKFCPYWRH-UHFFFAOYSA-N
Molecular formula
C25H31N3O4
Average molar mass
437.5 g/mol

Names & identifiers

Preferred name
4-(4-(2-Methoxyphenyl)piperazin-1-yl)butyl 2-oxo-1,2,3,4-tetrahydroquinoline-7-carboxylate
IUPAC
4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl 2-oxo-3,4-dihydro-1H-quinoline-7-carboxylate

Names & synonyms

SCHEMBL3158238IZKCXXKFCPYWRH-UHFFFAOYSA-N4-(4-(2-Methoxyphenyl)piperazin-1-yl)butyl 2-oxo-1,2,3,4-tetrahydroquinoline-7-carboxylate

Database identifiers

PubChem CID
57420177

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
71.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
9
Heavy atoms
32

Related reactions

3 records
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Compound notes

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