Methyl 5-methyl-2-[[[2-[4-(2-methylpropyl)phenyl]-4-quinolinyl]carbonyl]amino]-3-thiophenecarboxylate
Basic information
- CAS
444908-93-4- Standard SMILES
COC(=O)c1cc(C)sc1NC(=O)c1cc(-c2ccc(CC(C)C)cc2)nc2ccccc12- InChIKey
KJQXNISWLNEALW-UHFFFAOYSA-N- Molecular formula
- C27H26N2O3S
- Average molar mass
- 458.6 g/mol
- Monoisotopic mass
- 458.16641387
Names & identifiers
- Preferred name
- Methyl 5-methyl-2-[[[2-[4-(2-methylpropyl)phenyl]-4-quinolinyl]carbonyl]amino]-3-thiophenecarboxylate
- IUPAC
- methyl 5-methyl-2-[[2-[4-(2-methylpropyl)phenyl]quinoline-4-carbonyl]amino]thiophene-3-carboxylate
Names & synonyms
444908-93-4Methyl 5-methyl-2-[[[2-[4-(2-methylpropyl)phenyl]-4-quinolinyl]carbonyl]amino]-3-thiophenecarboxylateMethyl 5-methyl-2-(((2-(4-(2-methylpropyl)phenyl)-4-quinolinyl)carbonyl)amino)-3-thiophenecarboxylateRefChem:356140methyl 2-({[2-(4-isobutylphenyl)quinolin-4-yl]carbonyl}amino)-5-methylthiophene-3-carboxylateMethyl 5-methyl-2-({2-[4-(2-methylpropyl)phenyl]quinoline-4-carbonyl}amino)thiophene-3-carboxylatemethyl 5-methyl-2-[[2-[4-(2-methylpropyl)phenyl]quinoline-4-carbonyl]amino]thiophene-3-carboxylateOprea1_059230AK-968/15364415DTXSID401113391STK317440AKOS003282495
Show more names
methyl 5-methyl-2-[({2-[4-(2-methylpropyl)phenyl]quinolin-4-yl}carbonyl)amino]thiophene-3-carboxylate
Database identifiers
- CAS
444908-93-4- PubChem CID
- 4176641
- DTXSID
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 96.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 678
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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