3-[[2-methyl-1-(5-nitro-2-pyridinyl)indol-3-yl]methylideneamino]-1H-quinazoline-2,4-dione
Basic information
- CAS
5340-09-0- Standard SMILES
Cc1c(C=Nn2c(=O)[nH]c3ccccc3c2=O)c2ccccc2n1-c1ccc([N+](=O)[O-])cn1- InChIKey
SKUDHHXGUGDIJM-UHFFFAOYSA-N- Molecular formula
- C23H16N6O4
- Average molar mass
- 440.4 g/mol
- Monoisotopic mass
- 440.12330301
Names & identifiers
- Preferred name
- 3-[[2-methyl-1-(5-nitro-2-pyridinyl)indol-3-yl]methylideneamino]-1H-quinazoline-2,4-dione
- IUPAC
- 3-[[2-methyl-1-(5-nitro-2-pyridinyl)indol-3-yl]methylideneamino]-1H-quinazoline-2,4-dione
Names & synonyms
5340-09-0AC1NQB22DTXSID704108193-({[2-Methyl-1-(5-nitropyridin-2-yl)-1H-indol-3-yl]methylidene}amino)quinazoline-2,4(1H,3H)-dione
Database identifiers
- CAS
5340-09-0- PubChem CID
- 5218293
- DTXSID
DTXSID70410819
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 815
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Compound notes
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