2-Benzo(f)quinolin-3-yl-1H-indene-1,3(2H)-dione, mono((4-methyl-1H-imidazolyl)methyl) derivative
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Basic information
- CAS
80032-67-3- Standard SMILES
Cc1c[nH+]c(CC2=C(C3C(=O)c4ccccc4C3=O)[N-]c3ccc4c(c3=C2)=CCC=C4)[nH]1- InChIKey
YDKCLCWWXMKSQF-UHFFFAOYSA-O- Molecular formula
- C27H21N3O2
- Average molar mass
- 419.5 g/mol
- Monoisotopic mass
- 419.16337692
Names & identifiers
- Preferred name
- 2-Benzo(f)quinolin-3-yl-1H-indene-1,3(2H)-dione, mono((4-methyl-1H-imidazolyl)methyl) derivative
- IUPAC
- 2-[2-[(5-methyl-1H-imidazol-3-ium-2-yl)methyl]-9H-benzo[f]quinolin-4-id-3-yl]indene-1,3-dione
- English name
- 2-benzo[f]quinolin-3-yl-1H-indene-1,3(2H)-dione, mono[(4-methyl-1H-imidazolyl)methyl] derivative
- Molecular formula
- C27H21N3O2
- Molecular weight
- 419.47454
Names & synonyms
EINECS 279-372-32-Benzo(f)quinolin-3-yl-1H-indene-1,3(2H)-dione, mono((4-methyl-1H-imidazolyl)methyl) derivative80032-67-32-benzo[f]quinolin-3-yl-1H-indene-1,3(2H)-dione, mono[(4-methyl-1H-imidazolyl)methyl] derivative1H-Indene-1,3(2H)-dione,2-benzo[f]quinolin-3-yl-, mono[(4-methyl-1H-imidazolyl)methyl] deriv. (9CI)
Database identifiers
- CAS
80032-67-3- PubChem CID
- 129010954
- EC Number
- 279-372-3
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 1,050
Related reactions
0 records
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Compound notes
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