4(3H)-Quinazolinone, 7-chloro-2-((3-(dimethylamino)propyl)thio)-3-(3-fluorophenyl)-

HCID 63188

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Basic information

CAS: 118449-25-5
Standard SMILES: CN(C)CCCSc1nc2cc(Cl)ccc2c(=O)n1-c1cccc(F)c1
InChIKey: SKUYOUUEZLFHQK-UHFFFAOYSA-N
Molecular formula: C19H19ClFN3OS
Average molar mass: 391.9 g/mol
Monoisotopic mass: 391.0921393

Names & identifiers

Preferred name: 4(3H)-Quinazolinone, 7-chloro-2-((3-(dimethylamino)propyl)thio)-3-(3-fluorophenyl)-
IUPAC: 7-chloro-2-[3-(dimethylamino)propylsulfanyl]-3-(3-fluorophenyl)quinazolin-4-one

Names & synonyms

4(3H)-Quinazolinone, 7-chloro-2-((3-(dimethylamino)propyl)thio)-3-(3-fluorophenyl)-7-Chloro-2-((3-(dimethylamino)propyl)thio)-3-(3-fluorophenyl)-4(3H)-quinazolinone118449-25-5DTXSID60152130RefChem:284324DTXCID60746217-chloro-2-{[3-(dimethylamino)propyl]sulfanyl}-3-(3-fluorophenyl)quinazolin-4(3h)-one

Database identifiers

CAS: 118449-25-5
PubChem CID: 63188
DTXSID: DTXSID60152130

Properties

Computed structural properties

XLogP: 4.5
Topological polar surface area: 61.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 6
Heavy atoms: 26
Formal charge: 0
Complexity: 533

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