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1-(2-(Dimethylamino)ethyl)-3,4-dihydroquinolin-2(1H)-one

HCID 18229
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Basic information

Standard SMILES
CN(C)CCN1C(=O)CCc2ccccc21
InChIKey
DPCBQEZRQXVNJH-UHFFFAOYSA-N
Molecular formula
C13H18N2O
Average molar mass
218.29 g/mol

Names & identifiers

Preferred name
1-(2-(Dimethylamino)ethyl)-3,4-dihydroquinolin-2(1H)-one
IUPAC
1-[2-(dimethylamino)ethyl]-3,4-dihydroquinolin-2-one

Names & synonyms

SCHEMBL2676272DPCBQEZRQXVNJH-UHFFFAOYSA-N1-(2-(Dimethylamino)ethyl)-3,4-dihydroquinolin-2(1H)-one

Database identifiers

PubChem CID
18229

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
23.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
16
Formal charge
0
Complexity
252

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Related reactions

2 records
New reaction record
HRID 1548268 reaction equation
HRID 1548268As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 1922405 reaction equation
HRID 1922405As reactantuspto-grants-2012_05

Compound notes

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