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374932-50-0 | 9H-PYRROLO[3,4-B]QUINOLIN-9-ONE, 3-(2,3-DIHYDRO-5-BENZOFURANYL)-1,2,3,4-TETRAHYDRO-, (3R)-
CAS No: 374932-50-0 Catalog No: AG0079M7 MDL No:
Product Description
Catalog Number:
AG0079M7
Chemical Name:
9H-PYRROLO[3,4-B]QUINOLIN-9-ONE, 3-(2,3-DIHYDRO-5-BENZOFURANYL)-1,2,3,4-TETRAHYDRO-, (3R)-
CAS Number:
374932-50-0
Molecular Formula:
C19H16N2O2
Molecular Weight:
304.3425
IUPAC Name:
(3R)-3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,3,4-tetrahydropyrrolo[3,4-b]quinolin-9-one
InChI:
InChI=1S/C19H16N2O2/c22-19-13-3-1-2-4-15(13)21-18-14(19)10-20-17(18)12-5-6-16-11(9-12)7-8-23-16/h1-6,9,17,20H,7-8,10H2,(H,21,22)/t17-/m1/s1
InChI Key:
RQPNZWNSBMSVKC-QGZVFWFLSA-N
SMILES:
O=c1c2CN[C@@H](c2[nH]c2c1cccc2)c1ccc2c(c1)CCO2
Properties
Complexity:
544
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
304.121g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
304.349g/mol
Monoisotopic Mass:
304.121g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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