Basic information
- CAS
23905-32-0- Standard SMILES
CCCc1nc2ccccc2c(=O)n1CC#CCN1CCCC1.O=C(O)C(=O)O- InChIKey
NXQJYLGABYPGTP-UHFFFAOYSA-N- Molecular formula
- C21H25N3O5
- Average molar mass
- 399.4 g/mol
- Monoisotopic mass
- 399.17942091
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 2-propyl-3-(4-(1-pyrrolidinyl)-2-butynyl)-, oxalate (1:1)
- IUPAC
- oxalic acid;2-propyl-3-(4-pyrrolidin-1-ylbut-2-ynyl)quinazolin-4-one
Names & synonyms
23905-32-02-Propyl-3-(4-(1-pyrrolidinyl)-2-butynyl)-4(3H)-quinazolinone oxalate4(3H)-Quinazolinone, 2-propyl-3-(4-(1-pyrrolidinyl)-2-butynyl)-, oxalate (1:1)DTXSID60178618RefChem:283902DTXCID20101109Oxalic acid--2-propyl-3-[4-(pyrrolidin-1-yl)but-2-yn-1-yl]quinazolin-4(3H)-one (1/1)
Database identifiers
- CAS
23905-32-0- PubChem CID
- 64101
- DTXSID
DTXSID60178618
Properties
Computed structural properties
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 593
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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