4-(dimethylamino)quinoline-2-carboxylic acid - CAS 916450-76-5
Catalog: |
BB040299 |
Product Name: |
4-(dimethylamino)quinoline-2-carboxylic acid |
CAS: |
916450-76-5 |
Synonyms: |
4-(dimethylamino)-2-quinolinecarboxylic acid; 4-(dimethylamino)quinoline-2-carboxylic acid |
IUPAC Name: | 4-(dimethylamino)quinoline-2-carboxylic acid |
Description: | 4-(dimethylamino)quinoline-2-carboxylic acid (CAS# 916450-76-5) is a useful research chemical. |
Molecular Weight: | 216.24 |
Molecular Formula: | C12H12N2O2 |
Canonical SMILES: | CN(C)C1=CC(=NC2=CC=CC=C21)C(=O)O |
InChI: | InChI=1S/C12H12N2O2/c1-14(2)11-7-10(12(15)16)13-9-6-4-3-5-8(9)11/h3-7H,1-2H3,(H,15,16) |
InChI Key: | KPHFFKJCJLJIPB-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2012039717-A1 | Hepatitis c virus inhibitors | 20100924 |
EP-2601188-B1 | Hepatitis c virus inhibitors | 20100804 |
WO-2012018325-A1 | Hepatitis c virus inhibitors | 20100804 |
US-2011294819-A1 | Hepatitis C Virus Inhibitors | 20091230 |
US-2013085147-A1 | Hepatitis C Virus Inhibitors | 20091230 |
Complexity: | 268 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.08987763 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.08987763 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 53.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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Quinoline/Isoquinoline
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