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16408-77-8 | 8H-Benzo[g]-1,3-benzodioxolo[6,5,4-de]quinolin-8-one, 4,10,11-trimethoxy-
CAS No: 16408-77-8 Catalog No: AG001UMB MDL No:
Product Description
Catalog Number:
AG001UMB
Chemical Name:
8H-Benzo[g]-1,3-benzodioxolo[6,5,4-de]quinolin-8-one, 4,10,11-trimethoxy-
CAS Number:
16408-77-8
Molecular Formula:
C20H15NO6
Molecular Weight:
365.3362
IUPAC Name:
7,16,17-trimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),9,11,14,16,18-octaen-13-one
InChI:
InChI=1S/C20H15NO6/c1-23-12-6-10-11(7-13(12)24-2)17(22)16-14-9(4-5-21-16)18(25-3)20-19(15(10)14)26-8-27-20/h4-7H,8H2,1-3H3
InChI Key:
GOQUMRHFJDDYAU-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OC)C(=O)c1c3c2c2OCOc2c(c3ccn1)OC
Properties
Complexity:
587
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.09g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
365.341g/mol
Monoisotopic Mass:
365.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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