6-Chloro-4-cyclopropyl-4-(2-pyrimidin-5-ylethynyl)-1,3-dihydroquinazolin-2-one
Basic information
- CAS
153800-12-5- Standard SMILES
O=C1Nc2ccc(Cl)cc2C(C#Cc2cncnc2)(C2CC2)N1- InChIKey
HVBIKFMINXGRGX-UHFFFAOYSA-N- Molecular formula
- C17H13ClN4O
- Average molar mass
- 324.8 g/mol
- Monoisotopic mass
- 324.0777887
Names & identifiers
- Preferred name
- 6-Chloro-4-cyclopropyl-4-(2-pyrimidin-5-ylethynyl)-1,3-dihydroquinazolin-2-one
- IUPAC
- 6-chloro-4-cyclopropyl-4-(2-pyrimidin-5-ylethynyl)-1,3-dihydroquinazolin-2-one
Names & synonyms
6-chloro-4-cyclopropyl-4-(2-pyrimidin-5-ylethynyl)-1,3-dihydroquinazolin-2-one3,4-Dihydroquinazolinon 4eBDBM3111CHEMBL309696SCHEMBL9283945SCHEMBL9285256DTXSID0011299366-chloro-4-cyclopropyl-4-[2-(pyrimidin-5-yl)ethynyl]-1,2,3,4-tetrahydroquinazolin-2-one153800-12-56-Chloro-4-cyclopropyl-3,4-dihydro-4-[2-(5-pyrimidinyl)ethyn-1-yl]quinazolin-2(1H)-one6-Chloro-4-cyclopropyl-3,4-dihydro-4-[2-(5-pyrimidinyl)ethynyl]-2(1H)-quinazolinone6-Chloro-4-cyclopropyl-4-[(pyrimidin-5-yl)ethynyl]-3,4-dihydroquinazolin-2(1H)-one
Database identifiers
- CAS
153800-12-5- PubChem CID
- 455472
- DTXSID
DTXSID001129936- ChEMBL
CHEMBL309696- Nikkaji
- J606.670D
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 545
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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