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77779-50-1 | 3H-Pyrazolo[4,3-c]quinolin-3-one,2,5-dihydro-2-(4-methoxyphenyl)-
CAS No: 77779-50-1 Catalog No: AG008OHH MDL No:
Product Description
Catalog Number:
AG008OHH
Chemical Name:
3H-Pyrazolo[4,3-c]quinolin-3-one,2,5-dihydro-2-(4-methoxyphenyl)-
CAS Number:
77779-50-1
Molecular Formula:
C17H13N3O2
Molecular Weight:
291.3040
IUPAC Name:
2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
InChI:
InChI=1S/C17H13N3O2/c1-22-12-8-6-11(7-9-12)20-17(21)14-10-18-15-5-3-2-4-13(15)16(14)19-20/h2-10,19H,1H3
InChI Key:
FTHGIXILGYJOBQ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)n1nc2c(c1=O)c[nH]c1c2cccc1
NSC Number:
373970
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.101g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.31g/mol
Monoisotopic Mass:
291.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| The GABAA receptor alpha+beta- interface: a novel target for subtype selective drugs. | The Journal of neuroscience : the official journal of the Society for Neuroscience 20110119 |
| Selective influence on contextual memory: physiochemical properties associated with selectivity of benzodiazepine ligands at GABAA receptors containing the alpha5 subunit. | Journal of medicinal chemistry 20080710 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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