Basic information
- CAS
876922-98-4- Standard SMILES
Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(N)=O)ncn4-5)CC3)cccc2n1- InChIKey
HLQJZFFWUXHYMB-UHFFFAOYSA-N- Molecular formula
- C27H28N6O2
- Average molar mass
- 468.5 g/mol
- Monoisotopic mass
- 468.22737416
Overview
an antagonist of 5-HT!A, 5-HT1B, and 5-HT1D receptors; structure in first source
Names & identifiers
- Preferred name
- Gsk-588045
- IUPAC
- 6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxamide
Names & synonyms
876922-98-4GSK5880458HG5QW7P7ZGSK-5880456-(2-(4-(2-methyl-5-quinolinyl)-1-piperazinyl)ethyl)-4h-imidazo(5,1-c)(1,4)benzoxazine-3-carboxamide6-(2-(4-(2-Methylquinolin-5-yl)piperazin-1-yl)ethyl)-4H-benzo(b)imidazo(1,5-d)(1,4)oxazine-3-carboxamide6-(2-(4-(2-methylquinolin-5-yl)piperazin-1-yl)ethyl)-4H-benzo[b]imidazo[1,5-d][1,4]oxazine-3-carboxamideRefChem:922541GSK 588045UNII-8HG5QW7P7ZCHEMBL12419134H-Imidazo(5,1-C)(1,4)benzoxazine-3-carboxamide, 6-(2-(4-(2-methyl-5-quinolinyl)-1-piperazinyl)ethyl)-
Show more names
6-(2-(4-(2-Methyl-5-quinolyl)piperazin-1-yl)ethyl)-4H-imidazo(5,1-C)(1,4)benzoxazine-3-carboxamideSCHEMBL431119BDBM50326131PD2013546-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxamide
Database identifiers
- CAS
876922-98-4- PubChem CID
- 11655728
- ChEMBL
CHEMBL1241913
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 89.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 745
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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