4-Quinolinecarboxamide, 2-(4-methoxyphenyl)-N-[4-(2-phenyldiazenyl)phenyl]-
Basic information
- CAS
573996-05-1- Standard SMILES
COc1ccc(-c2cc(C(=O)Nc3ccc(N=Nc4ccccc4)cc3)c3ccccc3n2)cc1- InChIKey
NTJVCWGBUBBFDL-UHFFFAOYSA-N- Molecular formula
- C29H22N4O2
- Average molar mass
- 458.5 g/mol
- Monoisotopic mass
- 458.17427596
Names & identifiers
- Preferred name
- 4-Quinolinecarboxamide, 2-(4-methoxyphenyl)-N-[4-(2-phenyldiazenyl)phenyl]-
- IUPAC
- 2-(4-methoxyphenyl)-N-(4-phenyldiazenylphenyl)quinoline-4-carboxamide
Names & synonyms
DTXSID5010396214-Quinolinecarboxamide, 2-(4-methoxyphenyl)-N-[4-(2-phenyldiazenyl)phenyl]-AKOS003851363573996-05-1
Database identifiers
- CAS
573996-05-1- PubChem CID
- 4413752
- DTXSID
DTXSID501039621
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 75.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 693
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Compound notes
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