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Basic information
- Standard SMILES
COC(=O)C1CC2(Cc3cnc(Nc4ccc(-n5cnc(C)c5)c(OC)c4)nc31)OCCO2- InChIKey
WVOGQPZMSRYJNO-UHFFFAOYSA-N- Molecular formula
- C23H25N5O5
- Average molar mass
- 451.5 g/mol
- Monoisotopic mass
- 451.18556891
Names & identifiers
- Preferred name
- Methyl 6,6-ethylendioxy-2-[3-methoxy-4-(4-methyl-imidazol-1-yl)-phenylamino]-5,6,7,8-tetrahydro-quinazoline-8-carboxylate
- IUPAC
- methyl 2'-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]spiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-quinazoline]-8'-carboxylate
Names & synonyms
SCHEMBL1617604WVOGQPZMSRYJNO-UHFFFAOYSA-NMethyl 6,6-ethylendioxy-2-[3-methoxy-4-(4-methyl-imidazol-1-yl)-phenylamino]-5,6,7,8-tetrahydro-quinazoline-8-carboxylate
Database identifiers
- PubChem CID
- 57780688
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 692
Related reactions
1 records
Compound notes
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