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5911-65-9 | 9,10-dimethoxy-1H,2H,3H,4H,6H,7H,11bH-pyrido[2,1-a]isoquinoline-2,4-dione
CAS No: 5911-65-9 Catalog No: AG00IO3K MDL No:MFCD03305515
Product Description
Catalog Number:
AG00IO3K
Chemical Name:
9,10-dimethoxy-1H,2H,3H,4H,6H,7H,11bH-pyrido[2,1-a]isoquinoline-2,4-dione
CAS Number:
5911-65-9
Molecular Formula:
C15H17NO4
Molecular Weight:
275.2998
MDL Number:
MFCD03305515
IUPAC Name:
9,10-dimethoxy-1,6,7,11b-tetrahydrobenzo[a]quinolizine-2,4-dione
InChI:
InChI=1S/C15H17NO4/c1-19-13-5-9-3-4-16-12(6-10(17)7-15(16)18)11(9)8-14(13)20-2/h5,8,12H,3-4,6-7H2,1-2H3
InChI Key:
XFQOUAQRCFBYQW-UHFFFAOYSA-N
SMILES:
COc1cc2CCN3C(c2cc1OC)CC(=O)CC3=O
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.116g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.304g/mol
Monoisotopic Mass:
275.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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