N-Cyclopentyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2-pyrazinecarboxamide
Basic information
- CAS
603949-47-9- Standard SMILES
Cc1cccc2cc(CN(C(=O)c3cnccn3)C3CCCC3)c3nnnn3c12- InChIKey
ANUWSJHFHRPYCU-UHFFFAOYSA-N- Molecular formula
- C21H21N7O
- Average molar mass
- 387.4 g/mol
Names & identifiers
- Preferred name
- N-Cyclopentyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2-pyrazinecarboxamide
- IUPAC
- N-cyclopentyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyrazine-2-carboxamide
- English name
- Pyrazinecarboxamide, N-cyclopentyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]- (9CI)
- Molecular formula
- C21H21N7O
- Molecular weight
- 387.44
Names & synonyms
Oprea1_061746603949-47-9N-Cyclopentyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2-pyrazinecarboxamide2-Pyrazinecarboxamide, N-cyclopentyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-Pyrazinecarboxamide, N-cyclopentyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]- (9CI)
Database identifiers
- CAS
603949-47-9
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 89.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 583
Physicochemical properties
- Density
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- pka
- 0.78 · 0.78±0.30(Predicted)
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Related reactions
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Compound notes
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