R 101933
Basic information
- CAS
278798-78-0- Standard SMILES
COC(=O)C1CN=C2C(=C3CCN(CCc4ccc(OCc5ccc6ccccc6n5)cc4)CC3)c3ccccc3CCN21- InChIKey
QPGHEZZVRGUCDN-UHFFFAOYSA-N- Molecular formula
- C37H38N4O3
- Average molar mass
- 586.7 g/mol
- Monoisotopic mass
- 586.29439109
Names & identifiers
- Preferred name
- R 101933
- IUPAC
- methyl 11-[1-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]piperidin-4-ylidene]-2,3,5,6-tetrahydroimidazo[2,1-b][3]benzazepine-3-carboxylate
- English name
- 3H-Imidazo[2,1-b][3]benzazepine-3-carboxylicacid,2,5,6,11-tetrahydro-11-[1-[2-[4-(2-quinolinylmethoxy)phenyl]ethyl]-4-piperidinylidene]-,methyl ester
- Molecular formula
- C37H38N4O3
- Molecular weight
- 586.72262
Names & synonyms
278798-78-0R 101933RefChem:930505methyl 11-[1-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]piperidin-4-ylidene]-2,3,5,6-tetrahydroimidazo[2,1-b][3]benzazepine-3-carboxylateR 10220197509-47-03H-Imidazo(2,1-b)(3)benzazepine-3-carboxylic acid, 2,5,6,11-tetrahydro-11-(1-(2-(4-(2-quinolinylmethoxy)phenyl)ethyl)-4-piperidinylidene)-, methyl ester3H-Imidazo[2,1-b][3]benzazepine-3-carboxylicacid,2,5,6,11-tetrahydro-11-[1-[2-[4-(2-quinolinylmethoxy)phenyl]ethyl]-4-piperidinylidene]-,methyl esterMethyl 11-(1-(2-(4-(2-quinolinylmethoxy)phenyl)ethyl)-4-piperidinylidene)-2,5,6,11-tetrahydro-3H-imidazo(2,1-b)(3)benzazepine-3-carboxylateorb1739965SCHEMBL5060702SCHEMBL29385406
Show more names
DTXSID90950560T69515Methyl 11-(1-(4-(quinolin-2-ylmethoxy)phenethyl)piperidin-4-ylidene)-2,5,6,11-tetrahydro-3H-benzo[d]imidazo[1,2-a]azepine-3-carboxylateMethyl 11-[1-(2-{4-[(quinolin-2-yl)methoxy]phenyl}ethyl)piperidin-4-ylidene]-2,5,6,11-tetrahydro-3H-imidazo[2,1-b][3]benzazepine-3-carboxylate
Database identifiers
- CAS
278798-78-0- PubChem CID
- 219080
- DTXSID
DTXSID90950560
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 67.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,040
Chemistry & industry
Applications
DescriptionR 101933 is a P-glycoprotein (P-gp) inhibitor.
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Compound notes
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