Basic information
- Standard SMILES
C=CC(=O)N1CCC(Nc2ncc3c(n2)-c2c(c(C(=O)Nc4c(CC)cccc4CC)nn2C)CC3)CC1- InChIKey
JHDOPQDQEMNZOT-UHFFFAOYSA-N- Molecular formula
- C29H35N7O2
- Average molar mass
- 513.6 g/mol
Names & identifiers
- Preferred name
- 8-[(1-Acryloylpiperidin-4-yl)amino]-N-(2,6-diethylphenyl)-1-methyl-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide
- IUPAC
- N-(2,6-diethylphenyl)-1-methyl-8-[(1-prop-2-enoylpiperidin-4-yl)amino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
Names & synonyms
SCHEMBL1559245JHDOPQDQEMNZOT-UHFFFAOYSA-N8-[(1-Acryloylpiperidin-4-yl)amino]-N-(2,6-diethylphenyl)-1-methyl-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide
Database identifiers
- PubChem CID
- 44555972
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 835
Related reactions
2 records
Compound notes
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