4-Quinazolinamine, 2-[2-(1-pyrrolidinylazo)phenyl]-
Basic information
- CAS
52698-02-9- Standard SMILES
Nc1nc(-c2ccccc2N=NN2CCCC2)nc2ccccc12- InChIKey
MPVUVXGYWCUFOB-UHFFFAOYSA-N- Molecular formula
- C18H18N6
- Average molar mass
- 318.4 g/mol
- Monoisotopic mass
- 318.1592946
Names & identifiers
- Preferred name
- 4-Quinazolinamine, 2-[2-(1-pyrrolidinylazo)phenyl]-
- IUPAC
- 2-[2-(pyrrolidin-1-yldiazenyl)phenyl]quinazolin-4-amine
Names & synonyms
52698-02-9NSC1634244-Quinazolinamine, 2-[2-(1-pyrrolidinylazo)phenyl]-CHEMBL2004726DTXSID50329839NSC-1634242-{2-[(E)-(Pyrrolidin-1-yl)diazenyl]phenyl}quinazolin-4-amine
Database identifiers
- CAS
52698-02-9- PubChem CID
- 424332
- DTXSID
DTXSID50329839- ChEMBL
CHEMBL2004726
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 435
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Compound notes
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