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821004-09-5 | 4(1H)-Quinolinone, 3-(1-naphthalenylcarbonyl)-
CAS No: 821004-09-5 Catalog No: AG0051T5 MDL No:
Product Description
Catalog Number:
AG0051T5
Chemical Name:
4(1H)-Quinolinone, 3-(1-naphthalenylcarbonyl)-
CAS Number:
821004-09-5
Molecular Formula:
C20H13NO2
Molecular Weight:
299.3227
IUPAC Name:
3-(naphthalene-1-carbonyl)-1H-quinolin-4-one
InChI:
InChI=1S/C20H13NO2/c22-19(15-10-5-7-13-6-1-2-8-14(13)15)17-12-21-18-11-4-3-9-16(18)20(17)23/h1-12H,(H,21,23)
InChI Key:
PXGAAQBCZMLNDD-UHFFFAOYSA-N
SMILES:
O=c1c2ccccc2[nH]cc1C(=O)c1cccc2c1cccc2
Properties
Complexity:
524
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.095g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.329g/mol
Monoisotopic Mass:
299.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
Literature
| Title | Journal |
|---|---|
| Pharmacomodulations around the 4-oxo-1,4-dihydroquinoline-3-carboxamides, a class of potent CB2-selective cannabinoid receptor ligands: consequences in receptor affinity and functionality. | Journal of medicinal chemistry 20071101 |
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