Basic information
- CAS
18921-65-8- Standard SMILES
Nc1nc(N)c2cc(CNc3ccc(C(=O)N[C@@H](CC(=O)O)C(=O)O)cc3)ccc2n1- InChIKey
RJMVWPJFVJJJLO-HNNXBMFYSA-N- Molecular formula
- C20H20N6O5
- Average molar mass
- 424.4 g/mol
- Monoisotopic mass
- 424.14951776
Names & identifiers
- Preferred name
- Quinaspar
- IUPAC
- (2S)-2-[[4-[(2,4-diaminoquinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid
Names & synonyms
Quinaspar18921-65-8NSC 112846BRN 0904792SK 29758N-(p-(((2,4-Diamino-6-quinazolinyl)methyl)amino)benzoyl)-L-aspartic acidL-Aspartic acid, N-(4-(((2,4-diamino-6-quinazolinyl)methyl)amino)benzoyl)-ASPARTIC ACID, N-(p-(((2,4-DIAMINO-6-QUINAZOLINYL)METHYL)AMINO)BENZOYL)-, L-RefChem:178167L-Aspartic acid, N-(4-(((2,4-diamino-6-quinazolinyl)methyl)amino)benzoyl)-(9CI)(2S)-2-[[4-[(2,4-diaminoquinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acidCHEMBL3244847
Show more names
SCHEMBL292860342-[[4-[(2,4-diaminoquinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid
Database identifiers
- CAS
18921-65-8- PubChem CID
- 29334
- ChEMBL
CHEMBL3244847、CHEMBL453871- Nikkaji
- J395.126J
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 194 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 656
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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