3a,4,5,9b-Tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid - CAS 354815-90-0
Catalog: |
BB022654 |
Product Name: |
3a,4,5,9b-Tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid |
CAS: |
354815-90-0 |
Synonyms: |
3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid |
IUPAC Name: | 3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid |
Description: | 3a,4,5,9b-Tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid (CAS# 354815-90-0) is a useful research chemical. |
Molecular Weight: | 215.25 |
Molecular Formula: | C13H13NO2 |
Canonical SMILES: | C1C=CC2C1C(NC3=CC=CC=C23)C(=O)O |
InChI: | InChI=1S/C13H13NO2/c15-13(16)12-10-6-3-5-8(10)9-4-1-2-7-11(9)14-12/h1-5,7-8,10,12,14H,6H2,(H,15,16) |
InChI Key: | WRJCENKZISEXPF-UHFFFAOYSA-N |
Boiling Point: | 406.5 °C at 760 mmHg |
Density: | 1.25 g/cm3 |
MDL: | MFCD01593500 |
LogP: | 2.36300 |
Publication Number | Title | Priority Date |
US-2006287351-A1 | Antibiotic cycloalkyltetrahydroquinoline derivatives | 20030813 |
WO-2004072046-A2 | Quinoline derivatives and their use for modulation of lxr activity | 20030212 |
PMID | Publication Date | Title | Journal |
18808105 | 20081023 | Identification of non-nucleoside DNA synthesis inhibitors of vaccinia virus by high-throughput screening | Journal of medicinal chemistry |
Complexity: | 326 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.094628657 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.094628657 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 49.3 |
Undefined Atom Stereocenter Count: | 3 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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Related Functional Groups
Quinoline/Isoquinoline
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