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Home > Quinoline > 1017782-21-6
1017782-21-6 | 4H-Pyrrolo[3,4-c]quinolin-4-one, 1,2,3,3a,5,9b-hexahydro-2-(phenylmethyl)-
CAS No: 1017782-21-6 Catalog No: AG0005JN MDL No:MFCD09997913
Product Description
Catalog Number:
AG0005JN
Chemical Name:
4H-Pyrrolo[3,4-c]quinolin-4-one, 1,2,3,3a,5,9b-hexahydro-2-(phenylmethyl)-
CAS Number:
1017782-21-6
Molecular Formula:
C18H18N2O
Molecular Weight:
278.3483
MDL Number:
MFCD09997913
IUPAC Name:
2-benzyl-3,3a,5,9b-tetrahydro-1H-pyrrolo[3,4-c]quinolin-4-one
InChI:
InChI=1S/C18H18N2O/c21-18-16-12-20(10-13-6-2-1-3-7-13)11-15(16)14-8-4-5-9-17(14)19-18/h1-9,15-16H,10-12H2,(H,19,21)
InChI Key:
QDCNAGJMBCPFPL-UHFFFAOYSA-N
SMILES:
O=C1Nc2ccccc2C2C1CN(C2)Cc1ccccc1
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.142g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.355g/mol
Monoisotopic Mass:
278.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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