Basic information
- CAS
886499-95-2- Standard SMILES
COc1cc2ncnc(NCCCC(=O)O)c2cc1OC- InChIKey
DJOYFHXOCYKIBS-UHFFFAOYSA-N- Molecular formula
- C14H17N3O4
- Average molar mass
- 291.3 g/mol
- Monoisotopic mass
- 291.12190603
Names & identifiers
- Preferred name
- 4-((6,7-Dimethoxyquinazolin-4-yl)amino)butanoic acid
- IUPAC
- 4-[(6,7-dimethoxyquinazolin-4-yl)amino]butanoic acid
- English name
- 4-(6,7-Dimethoxy-quinazolin-4-ylamino)-butyric acid
- Molecular formula
- C14H17N3O4
- Molecular weight
- 291.3
Names & synonyms
886499-95-24-((6,7-Dimethoxyquinazolin-4-yl)amino)butanoic acid4-[(6,7-dimethoxyquinazolin-4-yl)amino]butanoic AcidDTXSID3012181544-((6,7-Dimethoxyquinazolin-4-yl)amino)butanoicacid4-(6,7-Dimethoxy-quinazolin-4-ylamino)-butyric acid4-[(6,7-Dimethoxy-4-quinazolinyl)amino]butanoic acid
Database identifiers
- CAS
886499-95-2- PubChem CID
- 7174367
- DTXSID
DTXSID301218154
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 93.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 342
Chemistry & industry
Suppliers4 total
Fluorochem Ltd[email protected]
FLRO-SR[email protected]
OAKWOOD[email protected]
CHEMCOLLECT[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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