Basic information
- CAS
23905-30-8- Standard SMILES
Cl.Cl.O=c1c2ccccc2ncn1CC#CCN1CCCC1- InChIKey
NAYWTBBBFHLDIT-UHFFFAOYSA-N- Molecular formula
- C16H19Cl2N3O
- Average molar mass
- 340.2 g/mol
- Monoisotopic mass
- 339.0905176
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 3-(4-(1-pyrrolidinyl)-2-butynyl)-, dihydrochloride
- IUPAC
- 3-(4-pyrrolidin-1-ylbut-2-ynyl)quinazolin-4-one;dihydrochloride
Names & synonyms
4(3H)-Quinazolinone, 3-(4-(1-pyrrolidinyl)-2-butynyl)-, dihydrochloride23905-30-8DTXSID401786163-(4-(1-Pyrrolidinyl)-2-butynyl)-4(3H)-quinazolinone dihydrochlorideRefChem:284057DTXCID001011073-[4-(Pyrrolidin-1-yl)but-2-yn-1-yl]quinazolin-4(3H)-one--hydrogen chloride (1/2)
Database identifiers
- CAS
23905-30-8- PubChem CID
- 63753
- DTXSID
DTXSID40178616
Properties
Computed structural properties
- Topological polar surface area
- 35.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 453
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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