Basic information
- Standard SMILES
CCOC(=O)COc1c(C)cc2cccnc2c1N1CCCN(Cc2ccn(-c3ccccc3)n2)CC1- InChIKey
VPAHTDQYESTDDG-UHFFFAOYSA-N- Molecular formula
- C29H33N5O3
- Average molar mass
- 499.6 g/mol
- Monoisotopic mass
- 499.25833993
Names & identifiers
- Preferred name
- {6-Methyl-8-[4-(1-phenyl-1H-pyrazol-3-ylmethyl)-[1,4]diazepan-1-yl]-quinolin-7-yloxy}-acetic acid ethyl ester
- IUPAC
- ethyl 2-[6-methyl-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinolin-7-yl]oxyacetate
Names & synonyms
SCHEMBL1063238VPAHTDQYESTDDG-UHFFFAOYSA-N{6-Methyl-8-[4-(1-phenyl-1H-pyrazol-3-ylmethyl)-[1,4]diazepan-1-yl]-quinolin-7-yloxy}-acetic acid ethyl ester
Database identifiers
- PubChem CID
- 59366193
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 72.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 720
Related reactions
6 records
Compound notes
Loading…