Methanesulfonic acid 3-{4-[1-(4-isopropoxy-phenylcarbamoyl)-piperidin-4-yl]-quinazolin-6-yl}-prop-2-ynyl ester
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Basic information
- Standard SMILES
CC(C)Oc1ccc(NC(=O)N2CCC(c3ncnc4ccc(C#CCOS(C)(=O)=O)cc34)CC2)cc1- InChIKey
NFNRXNAAORUPAX-UHFFFAOYSA-N- Molecular formula
- C27H30N4O5S
- Average molar mass
- 522.6 g/mol
Names & identifiers
- Preferred name
- Methanesulfonic acid 3-{4-[1-(4-isopropoxy-phenylcarbamoyl)-piperidin-4-yl]-quinazolin-6-yl}-prop-2-ynyl ester
- IUPAC
- 3-[4-[1-[(4-propan-2-yloxyphenyl)carbamoyl]piperidin-4-yl]quinazolin-6-yl]prop-2-ynyl methanesulfonate
Names & synonyms
SCHEMBL4963542NFNRXNAAORUPAX-UHFFFAOYSA-NMethanesulfonic acid 3-{4-[1-(4-isopropoxy-phenylcarbamoyl)-piperidin-4-yl]-quinazolin-6-yl}-prop-2-ynyl ester
Database identifiers
- PubChem CID
- 58770853
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 923
Related reactions
4 records
Compound notes
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