2-Methylquinoline-4-carboxylic Acid - CAS 634-38-8
Catalog: |
BB032147 |
Product Name: |
2-Methylquinoline-4-carboxylic Acid |
CAS: |
634-38-8 |
Synonyms: |
2-methyl-4-quinolinecarboxylic acid; 2-methylquinoline-4-carboxylic acid |
IUPAC Name: | 2-methylquinoline-4-carboxylic acid |
Description: | 2-Methylquinoline-4-carboxylic Acid (CAS# 634-38-8) is used in preparation of dihydro pyrano pyrazol one derivatives as antitumor agents. |
Molecular Weight: | 187.19 |
Molecular Formula: | C11H9NO2 |
Canonical SMILES: | CC1=NC2=CC=CC=C2C(=C1)C(=O)O |
InChI: | InChI=1S/C11H9NO2/c1-7-6-9(11(13)14)8-4-2-3-5-10(8)12-7/h2-6H,1H3,(H,13,14) |
InChI Key: | UIDHNPTVQFNWOJ-UHFFFAOYSA-N |
Boiling Point: | 344.5 °C at 760 mmHg |
Density: | 1.285 g/cm3 |
LogP: | 2.24140 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111574530-A | ACC inhibitor and medical application thereof | 20200421 |
WO-2021191359-A1 | Monoacylglycerol lipase modulators | 20200326 |
CN-109467549-A | Quinoline replaces chalcone compounds, preparation method and the usage | 20181207 |
CN-109467549-B | Quinoline-substituted chalcone compound, preparation method and application thereof | 20181207 |
CN-109608435-A | Quinoline substituent indole compound, preparation method and the usage | 20181130 |
Complexity: | 229 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.063328530 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.063328530 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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