Basic information
- CAS
181775-68-8- Standard SMILES
CN1CCN(c2cc(-c3ccccc3)nc3ccccc23)CC1- InChIKey
JZDZWTQFXWJFLK-UHFFFAOYSA-N- Molecular formula
- C20H21N3
- Average molar mass
- 303.4 g/mol
- Monoisotopic mass
- 303.17354768
Names & identifiers
- Preferred name
- 4-(4-Methylpiperazino)-2-phenylquinoline
- IUPAC
- 4-(4-methylpiperazin-1-yl)-2-phenylquinoline
Names & synonyms
181775-68-84-(4-methylpiperazin-1-yl)-2-phenylquinoline4-(4-Methylpiperazino)-2-phenylquinolineQuinoline, 4-(4-methyl-1-piperazinyl)-2-phenyl-Maybridge2_000093Maybridge2_0001374-(4-Methyl-1-piperazinyl)-2-phenylquinolineOprea1_327483CHEMBL49109SCHEMBL27894556DTXSID00171183JZDZWTQFXWJFLK-UHFFFAOYSA-N
Show more names
HMS1303E05CCG-46335AKOS024342500IDI1_001133IDI1_0011774-(4-methylpiperazin-1-yl)-2-phenyl-quinolineSR-01000636038-1
Database identifiers
- CAS
181775-68-8- PubChem CID
- 453050
- DTXSID
DTXSID00171183- ChEMBL
CHEMBL49109- EC Number
- 150-868-0
- Nikkaji
- J410.075A
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 19.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 371
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…