3-Thiophenecarboxylic acid, 5-(2-methyl-1-oxopropyl)-2-[2-[1,2,3,4-tetrahydro-1-(2-hydroxyethyl)-2,7-dimethyl-6-quinolinyl]diazenyl]-, methyl ester
Basic information
- CAS
70085-02-8- Standard SMILES
COC(=O)c1cc(C(=O)C(C)C)sc1N=Nc1cc2c(cc1C)N(CCO)C(C)CC2- InChIKey
RUWCXVKHFMTLPL-UHFFFAOYSA-N- Molecular formula
- C23H29N3O4S
- Average molar mass
- 443.6 g/mol
- Monoisotopic mass
- 443.18787759
Names & identifiers
- Preferred name
- 3-Thiophenecarboxylic acid, 5-(2-methyl-1-oxopropyl)-2-[2-[1,2,3,4-tetrahydro-1-(2-hydroxyethyl)-2,7-dimethyl-6-quinolinyl]diazenyl]-, methyl ester
- IUPAC
- methyl 2-[[1-(2-hydroxyethyl)-2,7-dimethyl-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-5-(2-methylpropanoyl)thiophene-3-carboxylate
Names & synonyms
DTXSID308876893-Thiophenecarboxylic acid, 5-(2-methyl-1-oxopropyl)-2-(2-(1,2,3,4-tetrahydro-1-(2-hydroxyethyl)-2,7-dimethyl-6-quinolinyl)diazenyl)-, methyl ester3-Thiophenecarboxylic acid, 5-(2-methyl-1-oxopropyl)-2-[2-[1,2,3,4-tetrahydro-1-(2-hydroxyethyl)-2,7-dimethyl-6-quinolinyl]diazenyl]-, methyl esterRefChem:505467DTXCID0010269763-Thiophenecarboxylic acid, 5-(2-methyl-1-oxopropyl)-2-((1,2,3,4-tetrahydro-1-(2-hydroxyethyl)-2,7-dimethyl-6-quinolinyl)azo)-, methyl ester70085-02-83-Thiophenecarboxylic acid, 5-(2-methyl-1-oxopropyl)-2-[[1,2,3,4-tetrahydro-1-(2-hydroxyethyl)-2,7-dimethyl-6-quinolinyl]azo]-, methyl esterRUWCXVKHFMTLPL-UHFFFAOYSA-N2-(1,2,3,4-Tetrahydro-1-(2-hydroxyethyl)-2,7-dimethyl-6-quinolinyl)azo)-5-(2-methyl-1-oxopropyl)-3-carbomethoxythiopheneMethyl 2-{[1-(2-hydroxyethyl)-2,7-dimethyl-1,2,3,4-tetrahydroquinolin-6-yl]diazenyl}-5-(2-methylpropanoyl)thiophene-3-carboxylate
Database identifiers
- CAS
70085-02-8- PubChem CID
- 112189
- DTXSID
DTXSID30887689
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 673
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3-Thiophenecarboxylic acid, 5-(2-methyl-1-oxopropyl)-2-[2-[1,2,3,4-tetrahydro-1-(2-hydroxyethyl)-2,7-dimethyl-6-quinolinyl]diazenyl]-, methyl ester: INACTIVE
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Compound notes
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