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1628618-33-6 | 1H-Pyrrolo[3,4-c]pyridine-1,6(2H)-dione, 7-chloro-3,5-dihydro-5-methyl-2-[2-(2-quinolinyl)ethyl]-
CAS No: 1628618-33-6 Catalog No: AG001THL MDL No:MFCD27991337
Product Description
Catalog Number:
AG001THL
Chemical Name:
1H-Pyrrolo[3,4-c]pyridine-1,6(2H)-dione, 7-chloro-3,5-dihydro-5-methyl-2-[2-(2-quinolinyl)ethyl]-
CAS Number:
1628618-33-6
Molecular Formula:
C19H16ClN3O2
Molecular Weight:
353.8022
MDL Number:
MFCD27991337
IUPAC Name:
7-chloro-5-methyl-2-(2-quinolin-2-ylethyl)-3H-pyrrolo[3,4-c]pyridine-1,6-dione
InChI:
InChI=1S/C19H16ClN3O2/c1-22-10-13-11-23(18(24)16(13)17(20)19(22)25)9-8-14-7-6-12-4-2-3-5-15(12)21-14/h2-7,10H,8-9,11H2,1H3
InChI Key:
REHSVUHFOKOGRJ-UHFFFAOYSA-N
SMILES:
O=C1N(CCc2ccc3c(n2)cccc3)Cc2c1c(Cl)c(=O)n(c2)C
Properties
Complexity:
657
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.093g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
353.806g/mol
Monoisotopic Mass:
353.093g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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