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941083-73-4 | 2-benzyl-9-methyl-1H,2H,3H-pyrrolo[3,4-b]quinolin-1-one
CAS No: 941083-73-4 Catalog No: AG019KP9 MDL No:MFCD09396705
Product Description
Catalog Number:
AG019KP9
Chemical Name:
2-benzyl-9-methyl-1H,2H,3H-pyrrolo[3,4-b]quinolin-1-one
CAS Number:
941083-73-4
Molecular Formula:
C19H16N2O
Molecular Weight:
288.3431
MDL Number:
MFCD09396705
IUPAC Name:
2-benzyl-9-methyl-3H-pyrrolo[3,4-b]quinolin-1-one
InChI:
InChI=1S/C19H16N2O/c1-13-15-9-5-6-10-16(15)20-17-12-21(19(22)18(13)17)11-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3
InChI Key:
WKRTVONHHXJBQT-UHFFFAOYSA-N
SMILES:
O=C1N(Cc2ccccc2)Cc2c1c(C)c1c(n2)cccc1
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.126g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.35g/mol
Monoisotopic Mass:
288.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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