Basic information
- CAS
40714-40-7- Standard SMILES
CCN(CC)CCC1(c2ccccc2)C(=O)N(N(C)Cc2cc(Cl)ccc2OC)c2ccccc21- InChIKey
FBPWURHNRZYCOS-UHFFFAOYSA-N- Molecular formula
- C29H34ClN3O2
- Average molar mass
- 492 g/mol
- Monoisotopic mass
- 491.233955
Names & identifiers
- Preferred name
- 2-Indolinone, 1-((5-chloro-2-methoxybenzyl)methylamino)-3-(2-(diethylamino)ethyl)-3-phenyl-
- IUPAC
- 1-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-3-[2-(diethylamino)ethyl]-3-phenylindol-2-one
- English name
- 1-[Methyl(5-chloro-2-methoxybenzyl)amino]-3-(2-diethylaminoethyl)-3-phenyl-2-indolinone
- Molecular formula
- C29H34ClN3O2
- Molecular weight
- 492.05
Names & synonyms
BRN 046664740714-40-72-Indolinone, 1-((5-chloro-2-methoxybenzyl)methylamino)-3-(2-(diethylamino)ethyl)-3-phenyl-5-22-13-00142 (Beilstein Handbook Reference)1-((5-Chloro-2-methoxybenzyl)methylamino)-3-(2-(diethylamino)ethyl)-3-phenyl-2-indolinoneRefChem:262064DTXSID009611271-[Methyl(5-chloro-2-methoxybenzyl)amino]-3-(2-diethylaminoethyl)-3-phenyl-2-indolinone1-[(5-chloro-2-methoxybenzyl)(methyl)amino]-3-[2-(diethylamino)ethyl]-3-phenyl-1,3-dihydro-2H-indol-2-one1-{[(5-Chloro-2-methoxyphenyl)methyl](methyl)amino}-3-[2-(diethylamino)ethyl]-3-phenyl-1,3-dihydro-2H-indol-2-one2H-Indol-2-one, 1-[[(5-chloro-2-methoxyphenyl)methyl]methylamino]-3-[2-(diethylamino)ethyl]-1,3-dihydro-3-phenyl-
Database identifiers
- CAS
40714-40-7- PubChem CID
- 38641
- DTXSID
DTXSID00961127- Nikkaji
- J68.733B
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 36 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 683
Physicochemical properties
- Boiling point
- 584.8 · 584.8±60.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- pka
- 10.17 · 10.17±0.25(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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