Basic information
- CAS
313398-51-5- Standard SMILES
Clc1ccc2nc(N3CCNCC3)nc(-c3ccccc3)c2c1- InChIKey
UQUXFXRMNTUFQA-UHFFFAOYSA-N- Molecular formula
- C18H17ClN4
- Average molar mass
- 324.8 g/mol
- Monoisotopic mass
- 324.1141743
Names & identifiers
- Preferred name
- 6-Chloro-4-phenyl-2-(piperazin-1-yl)quinazoline
- IUPAC
- 6-chloro-4-phenyl-2-piperazin-1-ylquinazoline
Names & synonyms
313398-51-56-CHLORO-4-PHENYL-2-(PIPERAZIN-1-YL)QUINAZOLINERefChem:541741979-126-16-chloro-4-phenyl-2-piperazin-1-ylquinazolineMLS000027613SMR0000397956-?chloro-?4-?phenyl-?2-?(1-?piperazinyl)?-Quinazolinecid_658787IFLab1_001268SCHEMBL5786483CHEMBL1539075
Show more names
REGID_for_CID_658787BDBM30721HMS1415J14HMS2387G16NMA39851AKOS001153490WAY-310686IDI1_009135
Database identifiers
- CAS
313398-51-5- PubChem CID
- 658787
- ChEMBL
CHEMBL1539075- EC Number
- 979-126-1
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 381
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, P317, 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
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