Basic information
- CAS
133671-62-2- Standard SMILES
CN1CCN(c2cc(-c3cccnc3)nc3ccccc23)CC1- InChIKey
OCEKOVHNNIVORN-UHFFFAOYSA-N- Molecular formula
- C19H20N4
- Average molar mass
- 304.4 g/mol
- Monoisotopic mass
- 304.16879665
Names & identifiers
- Preferred name
- Quinoline, 4-(4-methyl-1-piperazinyl)-2-(3-pyridinyl)-
- IUPAC
- 4-(4-methylpiperazin-1-yl)-2-pyridin-3-ylquinoline
- English name
- 4-(4-Methylpiperazin-1-yl)-2-(pyridin-3-yl)quinoline
- Molecular formula
- C19H20N4
- Molecular weight
- 304.39
Names & synonyms
133671-62-2Quinoline, 4-(4-methyl-1-piperazinyl)-2-(3-pyridinyl)-4-(4-Methylpiperazino)-2-(3-pyridyl)quinolineDTXSID90158307RefChem:378599DTXCID50807984-(4-methylpiperazin-1-yl)-2-(pyridin-3-yl)quinoline4-(4-Methyl-1-piperazinyl)-2-(3-pyridinyl)quinoline4-[4-Methyl-1-piperazinyl]-2-(3-pyridinyl)quinoline4-(4-methylpiperazin-1-yl)-2-pyridin-3-ylquinolineMaybridge2_000509Oprea1_786522
Show more names
CHEMBL51136OCEKOVHNNIVORN-UHFFFAOYSA-NHMS1304H03GEO-03313AKOS024326509GS-07644-(4-methylpiperazin-1-yl)-2-(3-pyridyl)quinolineBRD-K49146822-001-01-3
Database identifiers
- CAS
133671-62-2- PubChem CID
- 453068
- DTXSID
DTXSID90158307- ChEMBL
CHEMBL51136- EC Number
- 167-498-0
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 380
Physicochemical properties
- Melting point
- 127 · 127-128 °C
- Boiling point
- 513.6 · 513.6±50.0 °C(Predicted)
- Density
- 1.177 · 1.177±0.06 g/cm3(Predicted)
- pka
- 7.86 · 7.86±0.61(Predicted)
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%)
Chemistry & industry
Suppliers2 total
Chemenu Inc.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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