1-Methyl-3-[({[3-(4-methylpiperazin-1-yl)-2,3,4,5-tetrahydrooxepin-3-yl]methyl}amino)methyl]quinolin-2(1H)-one

HCID 58415951

Basic information

Standard SMILES
CN1CCN(C2(CNCc3cc4ccccc4n(C)c3=O)CCC=COC2)CC1
InChIKey
DHFNBKLPJWWHDB-UHFFFAOYSA-N
Molecular formula
C23H32N4O2
Average molar mass
396.5 g/mol

Names & identifiers

Preferred name
1-Methyl-3-[({[3-(4-methylpiperazin-1-yl)-2,3,4,5-tetrahydrooxepin-3-yl]methyl}amino)methyl]quinolin-2(1H)-one
IUPAC
1-methyl-3-[[[3-(4-methylpiperazin-1-yl)-4,5-dihydro-2H-oxepin-3-yl]methylamino]methyl]quinolin-2-one

Names & synonyms

SCHEMBL2405977DHFNBKLPJWWHDB-UHFFFAOYSA-N1-Methyl-3-[({[3-(4-methylpiperazin-1-yl)-2,3,4,5-tetrahydrooxepin-3-yl]methyl}amino)methyl]quinolin-2(1H)-one

Database identifiers

PubChem CID
58415951

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
48.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
29

Related reactions

4 records

Compound notes

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