Basic information
- CAS
1897-92-3- Standard SMILES
Cc1c(Cl)cccc1-n1c(CCN2CCCCC2)nc2ccccc2c1=O- InChIKey
VRWJGKQWXVIGEE-UHFFFAOYSA-N- Molecular formula
- C22H24ClN3O
- Average molar mass
- 381.9 g/mol
- Monoisotopic mass
- 381.1607901
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 3-(3-chloro-2-methylphenyl)-2-(piperidinoethyl)-
- IUPAC
- 3-(3-chloro-2-methylphenyl)-2-(2-piperidin-1-ylethyl)quinazolin-4-one
Names & synonyms
B 186BRN 08514474(3H)-Quinazolinone, 3-(3-chloro-2-methylphenyl)-2-(piperidinoethyl)-1897-92-3DTXSID801723952-Piperidinoethyl-3-(3-chloro-2-methylphenyl)-4(3H)-quinazolinone5-25-15-00142 (Beilstein Handbook Reference)2-(beta-Piperidinoaethyl)-3-(3'-chlor-2'-methylphenyl)chinazolinone-(4) [German]2-(beta-Piperidinoaethyl)-3-(3'-chlor-2'-methylphenyl)chinazolinone-(4)RefChem:284040DTXCID30948863-(3-Chloro-2-methylphenyl)-2-[2-(piperidin-1-yl)ethyl]quinazolin-4(3H)-one
Database identifiers
- CAS
1897-92-3- PubChem CID
- 63373
- DTXSID
DTXSID80172395- Nikkaji
- J73.064E
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 35.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 560
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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