Basic information
- Standard SMILES
O=c1cc(NCCCNCc2cc3c(Cl)cc(Cl)cc3[nH]2)[nH]c2ccccc12- InChIKey
QTJPPBAWMBBRID-UHFFFAOYSA-N- Molecular formula
- C21H20Cl2N4O
- Average molar mass
- 415.3 g/mol
Names & identifiers
- Preferred name
- 2-[3-(4,6-Dichloroindol-2-ylmethylamino)prop-1-ylamino]-1H-quinolin-4-one
- IUPAC
- 2-[3-[(4,6-dichloro-1H-indol-2-yl)methylamino]propylamino]-1H-quinolin-4-one
Names & synonyms
CHEMBL546244SCHEMBL5669372QTJPPBAWMBBRID-UHFFFAOYSA-N2-[3-(4,6-Dichloroindol-2-ylmethylamino)prop-1-ylamino]-1H-quinolin-4-one
Database identifiers
- PubChem CID
- 44533960
- ChEMBL
CHEMBL546244
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 69 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 587
Related reactions
2 records
Compound notes
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