Stk009984
Basic information
- CAS
5903-60-6- Standard SMILES
COc1cccc(-n2c(/C=C/c3cccnc3)nc3ccccc3c2=O)c1- InChIKey
XBJCWGKGSWQSKV-VAWYXSNFSA-N- Molecular formula
- C22H17N3O2
- Average molar mass
- 355.4 g/mol
- Monoisotopic mass
- 355.13207679
Names & identifiers
- Preferred name
- Stk009984
- IUPAC
- 3-(3-methoxyphenyl)-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one
Names & synonyms
STK009984DTXSID604172165903-60-6RefChem:382051DTXCID903680653-(3-methoxyphenyl)-2-[(E)-2-(pyridin-3-yl)ethenyl]quinazolin-4(3H)-oneCHEMBL5419929XBJCWGKGSWQSKV-VAWYXSNFSA-NSMSF0009450AKOS005376297CB06487BIM-0013746.P001
Show more names
AB00100412-01SR-01000222924SR-01000222924-13-(3-Methoxy-phenyl)-2-(2-pyridin-3-yl-vinyl)-3H-quinazolin-4-one3-(3-Methoxyphenyl)-2-[(E)-2-(3-pyridinyl)ethenyl]-4(3H)-quinazolinone #3-(3-Methoxyphenyl)-2-[(E)-2-(pyridin-3-yl)ethen-1-yl]quinazolin-4(3H)-one
Database identifiers
- CAS
5903-60-6- PubChem CID
- 5344580
- DTXSID
DTXSID60417216- ChEMBL
CHEMBL5419929
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 588
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Related reactions
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Compound notes
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