Acetic acid;6-[[(6-chloronaphthalen-2-yl)amino]methyl]quinazoline-2,4-diamine
Basic information
- CAS
52128-12-8- Standard SMILES
CC(=O)O.Nc1nc(N)c2cc(CNc3ccc4cc(Cl)ccc4c3)ccc2n1- InChIKey
YBEPRSXIUGDRFH-UHFFFAOYSA-N- Molecular formula
- C21H20ClN5O2
- Average molar mass
- 409.9 g/mol
- Monoisotopic mass
- 409.1305526
Names & identifiers
- Preferred name
- Acetic acid;6-[[(6-chloronaphthalen-2-yl)amino]methyl]quinazoline-2,4-diamine
- IUPAC
- acetic acid;6-[[(6-chloronaphthalen-2-yl)amino]methyl]quinazoline-2,4-diamine
Names & synonyms
NSC28953552128-12-8DTXSID90314885NSC-289535Acetic acid--6-{[(6-chloronaphthalen-2-yl)amino]methyl}quinazoline-2,4-diamine (1/1)
Database identifiers
- CAS
52128-12-8- PubChem CID
- 324368
- DTXSID
DTXSID90314885
Properties
Computed structural properties
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 481
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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