6-Nitro-3,4-dihydroquinolin-2(1H)-one - CAS 22246-16-8
Catalog: |
BB017473 |
Product Name: |
6-Nitro-3,4-dihydroquinolin-2(1H)-one |
CAS: |
22246-16-8 |
Synonyms: |
6-nitro-3,4-dihydro-1H-quinolin-2-one; 6-nitro-3,4-dihydro-1H-quinolin-2-one |
IUPAC Name: | 6-nitro-3,4-dihydro-1H-quinolin-2-one |
Description: | 6-Nitro-3,4-dihydroquinolin-2(1H)-one (CAS# 22246-16-8) is a useful intermediate for organic synthesis. It is used in the synthesis of triazolyl dihydroquinoliinones with anticonvulsant and antidepressant activity. |
Molecular Weight: | 192.17 |
Molecular Formula: | C9H8N2O3 |
Canonical SMILES: | C1CC(=O)NC2=C1C=C(C=C2)[N+](=O)[O-] |
InChI: | InChI=1S/C9H8N2O3/c12-9-4-1-6-5-7(11(13)14)2-3-8(6)10-9/h2-3,5H,1,4H2,(H,10,12) |
InChI Key: | NQMSVHWAVMTBHK-UHFFFAOYSA-N |
Boiling Point: | 420.3 °C at 760 mmHg |
Density: | 1.366 g/cm3 |
MDL: | MFCD00559317 |
LogP: | 2.14070 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021077010-A1 | Bifunctional molecules containing an e3 ubiquitine ligase binding moiety linked to a bcl6 targeting moiety | 20191017 |
WO-2020028461-A1 | Tetrahydroquinolino derivatives for the treatment of metastatic and chemoresistant cancers | 20180731 |
AU-2019315444-A1 | Tetrahydroquinolino derivatives for the treatment of metastatic and chemoresistant cancers | 20180731 |
CN-112638881-A | Tetrahydroquinoline derivatives for the treatment of metastatic and chemotherapy-resistant cancers | 20180731 |
EP-3830079-A1 | Tetrahydroquinolino derivatives for the treatment of metastatic and chemoresistant cancers | 20180731 |
Complexity: | 261 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.05349212 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.05349212 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 74.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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Quinoline/Isoquinoline
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