4-Quinolinecarboxaldehyde - CAS 4363-93-3
Catalog: |
BB025441 |
Product Name: |
4-Quinolinecarboxaldehyde |
CAS: |
4363-93-3 |
Synonyms: |
quinoline-4-carbaldehyde |
IUPAC Name: | quinoline-4-carbaldehyde |
Description: | 4-Quinolinecarboxaldehyde was used in the synthesis of lepidylamines. It also shows antimicrobial activity toward human intestinal bacteria such as Clostridium perfringens. |
Molecular Weight: | 157.17 |
Molecular Formula: | C10H7NO |
Canonical SMILES: | C1=CC=C2C(=C1)C(=CC=N2)C=O |
InChI: | InChI=1S/C10H7NO/c12-7-8-5-6-11-10-4-2-1-3-9(8)10/h1-7H |
InChI Key: | MGCGJBXTNWUHQE-UHFFFAOYSA-N |
Boiling Point: | 314.3 °C at 760 mmHg |
Melting Point: | 45-52 °C |
Purity: | > 97.0 % (GC) (T) |
Density: | 1.223 g/cm3 |
Appearance: | Yellow to yellow-brown crystalline powder |
Storage: | 2-8 °C |
MDL: | MFCD00006781 |
LogP: | 2.04730 |
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-112538059-A | Reaction method for selectively synthesizing oxazole-4-carboxylic ester | 20201207 |
CN-111960997-A | Method for synthesizing hydroxyalkyl substituted quinoline derivatives | 20200907 |
CN-111960997-B | Method for synthesizing hydroxyalkyl substituted quinoline derivatives | 20200907 |
CN-111925368-A | Pyrimidone derivatives, preparation method thereof and application thereof in resisting mycobacterium tuberculosis infection | 20200704 |
CN-111518166-A | Peptide-like compound or pharmaceutically acceptable salt thereof, and preparation method and application thereof | 20200520 |
PMID | Publication Date | Title | Journal |
21587977 | 20100623 | Ethyl 1,6-dimethyl-2-oxo-4-(quinolin-4-yl)-1,2,3,4-tetra-hydro-pyrimidine-5-carboxyl-ate | Acta crystallographica. Section E, Structure reports online |
16843663 | 20061101 | Synthesis, anti-tuberculosis activity, and 3D-QSAR study of ring-substituted-2/4-quinolinecarbaldehyde derivatives | Bioorganic & medicinal chemistry |
16681143 | 20050101 | New antimycobacterial S-alkylisothiosemicarbazones | Folia microbiologica |
Complexity: | 169 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 157.052763847 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 157.052763847 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 30 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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