3-Phenyl-3,4-dihydroquinolin-2(1H)-one - CAS 1022-66-8
Catalog: |
BB000822 |
Product Name: |
3-Phenyl-3,4-dihydroquinolin-2(1H)-one |
CAS: |
1022-66-8 |
Synonyms: |
3-phenyl-3,4-dihydro-1H-quinolin-2-one; 3-phenyl-3,4-dihydro-1H-quinolin-2-one |
IUPAC Name: | 3-phenyl-3,4-dihydro-1H-quinolin-2-one |
Description: | 3-Phenyl-3,4-dihydroquinolin-2(1H)-one (CAS# 1022-66-8 ) is a useful research chemical. |
Molecular Weight: | 223.27 |
Molecular Formula: | C15H13NO |
Canonical SMILES: | C1C(C(=O)NC2=CC=CC=C21)C3=CC=CC=C3 |
InChI: | InChI=1S/C15H13NO/c17-15-13(11-6-2-1-3-7-11)10-12-8-4-5-9-14(12)16-15/h1-9,13H,10H2,(H,16,17) |
InChI Key: | WIGSEVPKWYDXGT-UHFFFAOYSA-N |
LogP: | 3.05010 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-1729754-A2 | Selective norepinephrine reuptake inhibitors for the treatment of hot flashes, impulse control disorders and personality change due to a general medical condition | 20031212 |
WO-2005060949-A2 | Selective norepinephrine reuptake inhibitors for the treatment of hot flashes, impulse control disorders and personality change due to a general medical condition | 20031212 |
JP-2000226385-A | Quinoline compounds | 19981112 |
EP-1091955-A1 | Quinolones as serine protease inhibitors | 19980331 |
JP-2002509928-A | Quinolones as serine protease inhibitors | 19980331 |
Complexity: | 283 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.099714038 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.099714038 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 29.1 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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