Basic information
- Standard SMILES
O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1CCc2c(Cl)cccc21- InChIKey
IADWZPWKRCWMPE-UHFFFAOYSA-N- Molecular formula
- C18H19ClN4O3
- Average molar mass
- 374.8 g/mol
- Monoisotopic mass
- 374.1145682
Names & identifiers
- Preferred name
- 2-[2-(4-chloro-2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-6-(morpholin-4-yl)pyrimidin-4(3H)-one
- IUPAC
- 2-[2-(4-chloro-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-morpholin-4-yl-1H-pyrimidin-6-one
Names & synonyms
CHEMBL3112849SCHEMBL1030409IADWZPWKRCWMPE-UHFFFAOYSA-NBDBM504470892-[2-(4-chloro-2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-6-(morpholin-4-yl)pyrimidin-4(3H)-one
Database identifiers
- PubChem CID
- 136264454
- ChEMBL
CHEMBL3112849
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 644
Related reactions
2 records
Compound notes
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