3-(2-methylphenyl)-2-(2-(2-pyridinyl)ethenyl)-4(3H)-quinazolinone
Basic information
- CAS
1897-89-8- Standard SMILES
Cc1ccccc1-n1c(C=Cc2ccccn2)nc2ccccc2c1=O- InChIKey
MYGZNGAHFWOCLI-UHFFFAOYSA-N- Molecular formula
- C22H17N3O
- Average molar mass
- 339.4 g/mol
- Monoisotopic mass
- 339.13716217
Overview
structure
Names & identifiers
- Preferred name
- 3-(2-methylphenyl)-2-(2-(2-pyridinyl)ethenyl)-4(3H)-quinazolinone
- IUPAC
- 3-(2-methylphenyl)-2-(2-pyridin-2-ylethenyl)quinazolin-4-one
- English name
- piriqualone
- Molecular formula
- C22H17N3O
- Molecular weight
- 339.39
Names & synonyms
Piriqualone1897-89-89O52U70AP43-(2-Methylphenyl)-2-(2-(2-pyridinyl)ethenyl)-4(3H)-quinazolinoneNSC-969964(3H)-Quinazolinone, 3-(2-methylphenyl)-2-(2-(2-pyridinyl)ethenyl)-4(3H)-Quinazolinone, 3-(2-methylphenyl)-2-[2-(2-pyridinyl)ethenyl]-RefChem:1745432-(2-(2-pyridyl)vinyl)-3-o-tolyl-3,4-dihydroquinazolin-4-one2-(beta-pyridyl-(2'')-ethenyl)-3-(2'-methylphenyl)quinazolinone217-590-2Piriqualone [INN]
Show more names
2-[2-(2-Pyridyl)vinyl]-3-o-tolyl-4(3H)-quinazolinone3-(2-methylphenyl)-2-[(Z)-2-pyridin-2-ylethenyl]quinazolin-4-one
B 169PiriqualonaPiriqualonumPiriqualonum [INN-Latin]Piriqualona [INN-Spanish]UNII-9O52U70AP4EINECS 217-590-23-(2-methylphenyl)-2-(2-pyridin-2-ylethenyl)quinazolin-4-one
Database identifiers
- CAS
1897-89-8- PubChem CID
- 63114
- DTXSID
DTXSID10862777
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 570
Physicochemical properties
- FDA UNII
- 9 O52U70AP4 · 9O52U70AP4
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 413 · H413-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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]
P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H413-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Suppliers
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Related reactions
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Compound notes
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