1,2-Dihydro-2-(4-methoxyphenyl)-4(3H)-quinazolinone
Basic information
- CAS
61195-16-2- Standard SMILES
COc1ccc(C2NC(=O)c3ccccc3N2)cc1- InChIKey
YYTAMNASXHFOKH-UHFFFAOYSA-N- Molecular formula
- C15H14N2O2
- Average molar mass
- 254.28 g/mol
- Monoisotopic mass
- 254.10552769
Names & identifiers
- Preferred name
- 1,2-Dihydro-2-(4-methoxyphenyl)-4(3H)-quinazolinone
- IUPAC
- 2-(4-methoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
- English name
- 1,2-Dihydro-2-(4-methoxyphenyl)-4(3H)-quinazolinone
- Molecular formula
- C15H14N2O2
- Molecular weight
- 254.28
Names & synonyms
1,2-DIHYDRO-2-(4-METHOXYPHENYL)-4(3H)-QUINAZOLINONERefChem:411667664-925-761195-16-22-(4-Methoxyphenyl)-2,3-dihydroquinazolin-4(1H)-one2-(4-methoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one2-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinazolin-4-one2-(4-methoxyphenyl)-2,3-dihydro-4(1H)-quinazolinoneHMS1611A16Oprea1_066244MLS001181693CHEMBL138007
Show more names
4(1H)-Quinazolinone, 2,3-dihydro-2-(4-methoxyphenyl)-
SCHEMBL7674927SCHEMBL29913510DTXSID00333123BDBM150781HMS2858M24HMS3428N03EBC-08593AKOS001303725
Database identifiers
- CAS
61195-16-2- PubChem CID
- 484118
- DTXSID
DTXSID00333123- ChEMBL
CHEMBL138007- EC Number
- 664-925-7
- Nikkaji
- J606.301B
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 326
Experimental & physicochemical properties
Solubility33.2 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 178 · 178-180 °C(Solv: ethanol (64-17-5))
- Boiling point
- 536.4 · 536.4±50.0 °C(Predicted)
- Density
- 1.193 · 1.193±0.06 g/cm3(Predicted)
- pka
- 12.5 · 12.50±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…