Ethyl 6-chloro-2-oxo-4-phenyl-1,2-dihydro-3-quinolinecarboxylate - CAS 93654-27-4
Catalog: |
BB063291 |
Product Name: |
Ethyl 6-chloro-2-oxo-4-phenyl-1,2-dihydro-3-quinolinecarboxylate |
CAS: |
93654-27-4 |
Synonyms: |
ethyl 6-chloro-2-oxo-4-phenyl-1,2-dihydro-3-quinolinecarboxylate; ethyl 6-chloro-2-oxo-4-phenyl-1H-quinoline-3-carboxylate; ethyl 6-chloro-2-oxo-4-phenyl-1,2-dihydroquinoline-3-carboxylate |
IUPAC Name: | ethyl 6-chloro-2-oxo-4-phenyl-1H-quinoline-3-carboxylate |
Description: | Ethyl 6-chloro-2-oxo-4-phenyl-1,2-dihydro-3-quinolinecarboxylate |
Molecular Weight: | 327.76 |
Molecular Formula: | C18H14ClNO3 |
Canonical SMILES: | CCOC(=O)C1=C(C2=C(C=CC(=C2)Cl)NC1=O)C3=CC=CC=C3 |
InChI: | InChI=1S/C18H14ClNO3/c1-2-23-18(22)16-15(11-6-4-3-5-7-11)13-10-12(19)8-9-14(13)20-17(16)21/h3-10H,2H2,1H3,(H,20,21) |
InChI Key: | YNNAVLGZRMNKDA-UHFFFAOYSA-N |
Complexity: | 510 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 327.066221 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 327.066221 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 55.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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