4(1H)-Quinazolinone, 2,3-dihydro-1-(2-(dimethylamino)ethyl)-2-(2-pyridyl)-, 8-chlortheophyllinate
Basic information
- CAS
73987-30-1- Standard SMILES
CN(C)CCN1c2ccccc2C(=O)NC1c1ccccn1.Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O- InChIKey
JUCWBRSNGVEQRG-UHFFFAOYSA-N- Molecular formula
- C24H27ClN8O3
- Average molar mass
- 511 g/mol
- Monoisotopic mass
- 510.1894644
Names & identifiers
- Preferred name
- 4(1H)-Quinazolinone, 2,3-dihydro-1-(2-(dimethylamino)ethyl)-2-(2-pyridyl)-, 8-chlortheophyllinate
- IUPAC
- 8-chloro-1,3-dimethyl-7H-purine-2,6-dione;1-[2-(dimethylamino)ethyl]-2-pyridin-2-yl-2,3-dihydroquinazolin-4-one
Names & synonyms
HPT 909-8-chlortheophyllinat [German]HPT 909-8-chlortheophyllinat73987-30-14(1H)-Quinazolinone, 2,3-dihydro-1-(2-(dimethylamino)ethyl)-2-(2-pyridyl)-, 8-chlortheophyllinateRefChem:283636DTXSID809952638-Chloro-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione--1-[2-(dimethylamino)ethyl]-2-(pyridin-2-yl)-1,2-dihydroquinazolin-4-ol (1/1)
Database identifiers
- CAS
73987-30-1- PubChem CID
- 64107
- DTXSID
DTXSID80995263
Properties
Computed structural properties
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 684
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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