Basic information
- Standard SMILES
CC1c2ncnc(Oc3ccc4[nH]ccc4c3)c2CCN1C(=O)OC(C)(C)C- InChIKey
LTQSNSSCMZLWEG-UHFFFAOYSA-N- Molecular formula
- C21H24N4O3
- Average molar mass
- 380.4 g/mol
Names & identifiers
- Preferred name
- (+/-)-4-(1H-Indol-5-yloxy)-8-methyl-5,8-dihydro-6H-pyrido[3,4-d]pyrimidine-7-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-(1H-indol-5-yloxy)-8-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
Names & synonyms
SCHEMBL2795156LTQSNSSCMZLWEG-UHFFFAOYSA-N(+/-)-4-(1H-Indol-5-yloxy)-8-methyl-5,8-dihydro-6H-pyrido[3,4-d]pyrimidine-7-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 59394465
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 566
Related reactions
6 records
Linked notes
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