Basic information
- CAS
133671-70-2- Standard SMILES
CN1CCN(c2cc(-c3cccs3)nc3ccccc23)CC1- InChIKey
OHIXLXNUKMHJJF-UHFFFAOYSA-N- Molecular formula
- C18H19N3S
- Average molar mass
- 309.4 g/mol
- Monoisotopic mass
- 309.12996879
Names & identifiers
- Preferred name
- 4-(4-Methyl-1-piperazinyl)-2-(2-thienyl)quinoline
- IUPAC
- 4-(4-methylpiperazin-1-yl)-2-thiophen-2-ylquinoline
Names & synonyms
4-(4-Methyl-1-piperazinyl)-2-(2-thienyl)quinoline156095-20-4RefChem:514360665-285-14-(4-Methylpiperazin-1-yl)-2-(thiophen-2-yl)quinoline4-(4-Methylpiperazino)-2-(2-thienyl)quinoline133671-70-2CHEMBL49256DTXSID40332372OHIXLXNUKMHJJF-UHFFFAOYSA-NAKOS024320766AE-641/11517298
Show more names
4-(4-methylpiperazin-1-yl)-2-(2-thienyl)quinoline4-[4-Methyl-1-piperazinyl)-2-(2-thienyl)quinolinamineQuinoline, 4-(4-methyl-1-piperazinyl)-2-(2-thienyl)-
Database identifiers
- CAS
133671-70-2、156095-20-4- PubChem CID
- 453076
- DTXSID
DTXSID40332372- ChEMBL
CHEMBL49256- EC Number
- 167-561-2、665-285-1
- Nikkaji
- J410.090E
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 369
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)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Hazard information
Hazard Classes and Categories
Acute Tox. 4 (100%)
Skin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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