4-[3a,4,5,9b-Tetrahydro-8-(1-methylethyl)-3H-cyclopenta[c]quinolin-4-yl]benzoic acid
Basic information
- CAS
1212180-18-1- Standard SMILES
CC(C)c1ccc2c(c1)C1C=CCC1C(c1ccc(C(=O)O)cc1)N2- InChIKey
RWGOYNCGDIHCFK-UHFFFAOYSA-N- Molecular formula
- C22H23NO2
- Average molar mass
- 333.4 g/mol
- Monoisotopic mass
- 333.17287898
Names & identifiers
- Preferred name
- 4-[3a,4,5,9b-Tetrahydro-8-(1-methylethyl)-3H-cyclopenta[c]quinolin-4-yl]benzoic acid
- IUPAC
- 4-(8-propan-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)benzoic acid
Names & synonyms
1212180-18-14-[3a,4,5,9b-Tetrahydro-8-(1-methylethyl)-3H-cyclopenta[c]quinolin-4-yl]benzoic acid4-(3a,4,5,9b-Tetrahydro-8-(1-methylethyl)-3H-cyclopenta(c)quinolin-4-yl)benzoic acidRefChem:2877494-[8-(propan-2-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid4-[8-(methylethyl)-3,4,5,3a,9b-pentahydrocyclopenta[1,2-c]quinolin-4-yl]benzoi c acidOprea1_490309DTXSID601128936STL455262AKOS024279038ST025131
Database identifiers
- CAS
1212180-18-1- PubChem CID
- 3461652
- DTXSID
DTXSID601128936
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 520
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Compound notes
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