N-(2,6-Diethylphenyl)-8-[(2-iodophenyl)amino]-1-methyl-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide
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Basic information
- Standard SMILES
CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccccc3I)nc1-2- InChIKey
PYTKCGWWSIPQFX-UHFFFAOYSA-N- Molecular formula
- C27H27IN6O
- Average molar mass
- 578.4 g/mol
- Monoisotopic mass
- 578.12911
Names & identifiers
- Preferred name
- N-(2,6-Diethylphenyl)-8-[(2-iodophenyl)amino]-1-methyl-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide
- IUPAC
- N-(2,6-diethylphenyl)-8-(2-iodoanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
Names & synonyms
SCHEMBL1558678PYTKCGWWSIPQFX-UHFFFAOYSA-NN-(2,6-Diethylphenyl)-8-[(2-iodophenyl)amino]-1-methyl-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide
Database identifiers
- PubChem CID
- 44555822
Properties
Computed structural propertiesFilling in
- XLogP
- 5.8
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 714
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Related reactions
1 records
Compound notes
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