Basic information
- CAS
404835-88-7- Standard SMILES
COc1ccc(N2C(=O)c3ccccc3NC2(C)C)cc1- InChIKey
RPLFBIOEIFQSEL-UHFFFAOYSA-N- Molecular formula
- C17H18N2O2
- Average molar mass
- 282.34 g/mol
- Monoisotopic mass
- 282.13682782
Names & identifiers
- Preferred name
- 3-(4-methoxyphenyl)-2,2-dimethyl-1H-quinazolin-4-one
- IUPAC
- 3-(4-methoxyphenyl)-2,2-dimethyl-1H-quinazolin-4-one
- English name
- 3-(4-methoxyphenyl)-2,2-dimethyl-2,3-dihydroquinazolin-4(1H)-one
- Molecular formula
- C17H18N2O2
- Molecular weight
- 282.34
Names & synonyms
3-(4-methoxyphenyl)-2,2-dimethyl-2,3-dihydroquinazolin-4(1H)-one3-(4-methoxyphenyl)-2,2-dimethyl-1H-quinazolin-4-oneOprea1_667348MLS000706402CHEMBL1578017HMS2731I03STK168927AKOS000339397SMR000288454AO-081/15569225SR-01000365146SR-01000365146-1
Show more names
4(1H)-Quinazolinone, 2,3-dihydro-3-(4-methoxyphenyl)-2,2-dimethyl-
3-(4-methoxyphenyl)-2,2-dimethyl-2,3-dihydro-4(1H)-quinazolinone
Database identifiers
- CAS
404835-88-7- PubChem CID
- 919612
- ChEMBL
CHEMBL1578017
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 388
Experimental & physicochemical properties
Solubility8.3 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 468.3 · 468.3±45.0 °C(Predicted)
- Density
- 1.145 · 1.145±0.06 g/cm3(Predicted)
- pka
- 1.42 · 1.42±0.40(Predicted)
Chemistry & industry
Suppliers4 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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