Basic information
- CAS
248606-74-8- Standard SMILES
O=c1cc(NCCCNC(c2ccccc2)c2ccc(Cl)c(Cl)c2)[nH]c2ccccc12- InChIKey
LZWLRNCRJRUWNB-UHFFFAOYSA-N- Molecular formula
- C25H23Cl2N3O
- Average molar mass
- 452.4 g/mol
- Monoisotopic mass
- 451.1218178
Names & identifiers
- Preferred name
- 2-[[3-[[(3,4-Dichlorophenyl)phenylmethyl]amino]propyl]amino]-4(1H)-quinolinone
- IUPAC
- 2-[3-[[(3,4-dichlorophenyl)-phenylmethyl]amino]propylamino]-1H-quinolin-4-one
Names & synonyms
TCMDC-139318CHEMBL532772SCHEMBL7989465DTXSID2011368962-[[3-[[(3,4-Dichlorophenyl)phenylmethyl]amino]propyl]amino]-4(1H)-quinolinone248606-74-82-[(3-{[(3,4-Dichlorophenyl)(phenyl)methyl]amino}propyl)amino]quinolin-4(1H)-one
Database identifiers
- CAS
248606-74-8- PubChem CID
- 44533441
- DTXSID
DTXSID201136896- ChEMBL
CHEMBL532772
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 53.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 622
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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