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374927-41-0 | 9H-PYRROLO[3,4-B]QUINOLIN-9-ONE, 3-(2,3-DIHYDRO-5-BENZOFURANYL)-1,2,3,4-TETRAHYDRO-2-(2-PYRIDINYL)-, (3R)-
CAS No: 374927-41-0 Catalog No: AG0079M9 MDL No:
Product Description
Catalog Number:
AG0079M9
Chemical Name:
9H-PYRROLO[3,4-B]QUINOLIN-9-ONE, 3-(2,3-DIHYDRO-5-BENZOFURANYL)-1,2,3,4-TETRAHYDRO-2-(2-PYRIDINYL)-, (3R)-
CAS Number:
374927-41-0
Molecular Formula:
C24H19N3O2
Molecular Weight:
381.4266
IUPAC Name:
(3R)-3-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-2-yl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
InChI:
InChI=1S/C24H19N3O2/c28-24-17-5-1-2-6-19(17)26-22-18(24)14-27(21-7-3-4-11-25-21)23(22)16-8-9-20-15(13-16)10-12-29-20/h1-9,11,13,23H,10,12,14H2,(H,26,28)/t23-/m1/s1
InChI Key:
NPQHDOLBQQVPMG-HSZRJFAPSA-N
SMILES:
O=c1c2CN([C@@H](c2[nH]c2c1cccc2)c1ccc2c(c1)CCO2)c1ccccn1
Properties
Complexity:
692
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
381.148g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
381.435g/mol
Monoisotopic Mass:
381.148g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Pyrroloquinolone PDE5 inhibitors with improved pharmaceutical profiles for clinical studies on erectile dysfunction. | Journal of medicinal chemistry 20050324 |
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