(3Z)-1-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-3-(phenylimino)-1,3-dihydro-2H-indol-2-one
Basic information
- CAS
346598-68-3- Standard SMILES
O=C1C(=Nc2ccccc2)c2ccccc2N1CN1CCc2ccccc2C1- InChIKey
OXJRAKCTMRITHZ-UHFFFAOYSA-N- Molecular formula
- C24H21N3O
- Average molar mass
- 367.4 g/mol
Names & identifiers
- Preferred name
- (3Z)-1-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-3-(phenylimino)-1,3-dihydro-2H-indol-2-one
- IUPAC
- 1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-phenyliminoindol-2-one
- English name
- (3Z)-1-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-3-(phenylimino)-1,3-dihydro-2H-indol-2-one
- Molecular formula
- C24H21N3O
- Molecular weight
- 367.44
Names & synonyms
(3Z)-1-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-3-(phenylimino)-1,3-dihydro-2H-indol-2-oneOprea1_381523AN-512/133680161-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-phenyliminoindol-2-oneSTK033542AKOS005381884(Z)-1-((3,4-dihydroisoquinolin-2(1H)-yl)methyl)-3-(phenylimino)indolin-2-one1-(3,4-dihydro-2(1H)-isoquinolinylmethyl)-3-(phenylimino)-1,3-dihydro-2H-indol-2-one2H-Indol-2-one, 1-[(3,4-dihydro-2(1H)-isoquinolinyl)methyl]-1,3-dihydro-3-(phenylimino)-
Database identifiers
- CAS
346598-68-3
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 35.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 597
Physicochemical properties
- Boiling point
- 546.152 · 546.152±52.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.226 · 1.226±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 5.091 · 5.091±0.20(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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