2-Methyl-6-nitroquinoline - CAS 613-30-9
Catalog: |
BB031058 |
Product Name: |
2-Methyl-6-nitroquinoline |
CAS: |
613-30-9 |
Synonyms: |
2-methyl-6-nitroquinoline; 2-methyl-6-nitroquinoline |
IUPAC Name: | 2-methyl-6-nitroquinoline |
Description: | 2-Methyl-6-nitroquinoline (CAS# 613-30-9) is a reagent that is used as a potent, selective, and orally efficacious antagonists of melanin-concentrating hormone receptor 1. |
Molecular Weight: | 188.18 |
Molecular Formula: | C10H8N2O2 |
Canonical SMILES: | CC1=NC2=C(C=C1)C=C(C=C2)[N+](=O)[O-] |
InChI: | InChI=1S/C10H8N2O2/c1-7-2-3-8-6-9(12(13)14)4-5-10(8)11-7/h2-6H,1H3 |
InChI Key: | DXDPHHQJZWWAEH-UHFFFAOYSA-N |
Boiling Point: | 334.7 °C at 760 mmHg |
Density: | 1.298 g/cm3 |
Solubility: | 20.5 [ug/mL] (The mean of the results at pH 7.4) |
MDL: | MFCD00051736 |
LogP: | 2.97460 |
GHS Hazard Statement: | H302 (88.64%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-109265451-A | Butyrylcholinesterase selective inhibitor, preparation method and use thereof | 20181009 |
WO-2020073770-A1 | Selective butyrylcholine esterase inhibitor and preparation method and use thereof | 20181009 |
CN-108727261-B | Preparation method of nitro-substituted quinaldine | 20180621 |
EP-3630749-A1 | 2-quinolone derived inhibitors of bcl6 | 20170526 |
WO-2018215798-A1 | 2-quinolone derived inhibitors of bcl6 | 20170526 |
PMID | Publication Date | Title | Journal |
22608675 | 20120801 | Discovery of a new antileishmanial hit in 8-nitroquinoline series | European journal of medicinal chemistry |
Complexity: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 188.058577502 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.058577502 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 58.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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