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142471-56-5 | 2-(2-(1-benzylpiperidin-4-yl)ethyl)-9-methoxy-2,3-dihydro-1H-pyrrolo[3,4-b]quinolin-1-one
CAS No: 142471-56-5 Catalog No: AG01DGCA MDL No:
Product Description
Catalog Number:
AG01DGCA
Chemical Name:
2-(2-(1-benzylpiperidin-4-yl)ethyl)-9-methoxy-2,3-dihydro-1H-pyrrolo[3,4-b]quinolin-1-one
CAS Number:
142471-56-5
Molecular Formula:
C26H29N3O2
Molecular Weight:
415.5274
IUPAC Name:
2-[2-(1-benzylpiperidin-4-yl)ethyl]-9-methoxy-3H-pyrrolo[3,4-b]quinolin-1-one
InChI:
InChI=1S/C26H29N3O2/c1-31-25-21-9-5-6-10-22(21)27-23-18-29(26(30)24(23)25)16-13-19-11-14-28(15-12-19)17-20-7-3-2-4-8-20/h2-10,19H,11-18H2,1H3
InChI Key:
UQMVECQBCVBXGA-UHFFFAOYSA-N
SMILES:
COc1c2c(CN(C2=O)CCC2CCN(CC2)Cc2ccccc2)nc2c1cccc2
Properties
Complexity:
600
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
415.226g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
415.537g/mol
Monoisotopic Mass:
415.226g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
45.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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