Basic information
- Standard SMILES
Nc1nc(N)c2c(ccc3c2ccn3Cc2ccccc2)n1- InChIKey
ZWFDKDJACHDCTD-UHFFFAOYSA-N- Molecular formula
- C17H15N5
- Average molar mass
- 289.33 g/mol
- Monoisotopic mass
- 289.1327455
Names & identifiers
- Preferred name
- 7-Benzylpyrrolo[3,2-f]quinazoline-1,3-diamine
- IUPAC
- 7-benzylpyrrolo[3,2-f]quinazoline-1,3-diamine
Names & synonyms
TCMDC-1419777-benzylpyrrolo[3,2-f]quinazoline-1,3-diamineCHEMBL581135SCHEMBL11614277ZWFDKDJACHDCTD-UHFFFAOYSA-N7-(Phenylmethyl)-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine1,3-diamino-7-benzyl-7h-pyrrolo[3,2-f]quinazoline7H-Pyrrolo[3,2-f]quinazoline-1,3-diamine, 7-(phenylmethyl)-
Database identifiers
- PubChem CID
- 463795
- ChEMBL
CHEMBL581135- Nikkaji
- J395.390D
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 82.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 383
Related reactions
2 records
Compound notes
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