Basic information
- CAS
117063-97-5- Standard SMILES
Cl.O=C1CCCN1CC(CN1CCOCC1)Sc1nc2ccccc2c(=O)n1-c1ccccc1- InChIKey
PPQKIBMTMBBZDT-UHFFFAOYSA-N- Molecular formula
- C25H29ClN4O3S
- Average molar mass
- 501 g/mol
- Monoisotopic mass
- 500.1648897
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 2-((1-(4-morpholinylmethyl)-2-(2-oxo-1-pyrrolidinyl)ethyl)thio)-3-phenyl-, monohydrochloride
- IUPAC
- 2-[1-morpholin-4-yl-3-(2-oxopyrrolidin-1-yl)propan-2-yl]sulfanyl-3-phenylquinazolin-4-one;hydrochloride
Names & synonyms
117063-97-54(3H)-Quinazolinone, 2-((1-(4-morpholinylmethyl)-2-(2-oxo-1-pyrrolidinyl)ethyl)thio)-3-phenyl-, monohydrochlorideRefChem:2837852-((1-morpholino-3-(2-oxopyrrolidin-1-yl)propan-2-yl)thio)-3-phenylquinazolin-4(3H)-one hydrochlorideDTXSID00922273AKOS0305130722-[1-morpholin-4-yl-3-(2-oxopyrrolidin-1-yl)propan-2-yl]sulfanyl-3-phenylquinazolin-4-one;hydrochloride2-{[1-(Morpholin-4-yl)-3-(2-oxopyrrolidin-1-yl)propan-2-yl]sulfanyl}-3-phenylquinazolin-4(3H)-one--hydrogen chloride (1/1)
Database identifiers
- CAS
117063-97-5- PubChem CID
- 63993
- DTXSID
DTXSID00922273
Properties
Computed structural properties
- Topological polar surface area
- 90.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 735
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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