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91794-11-5 | 9'-methoxy-7'-methyl-7'h,8h-5,8'-bi[1,3]benzodioxolo[6,5,4-de]benzo[g]quinolin-8-one
CAS No: 91794-11-5 Catalog No: AG006MNW MDL No:
Product Description
Catalog Number:
AG006MNW
Chemical Name:
9'-methoxy-7'-methyl-7'h,8h-5,8'-bi[1,3]benzodioxolo[6,5,4-de]benzo[g]quinolin-8-one
CAS Number:
91794-11-5
Molecular Formula:
C36H22N2O6
Molecular Weight:
578.5697
IUPAC Name:
9-(15-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,9,12,14(19),15,17-octaen-13-yl)-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,9,11,14,16,18-octaen-13-one
InChI:
InChI=1S/C36H22N2O6/c1-38-11-10-17-12-24-35(43-15-41-24)31-20-8-5-9-23(40-2)27(20)29(33(38)26(17)31)22-14-37-32-28-21(22)13-25-36(44-16-42-25)30(28)18-6-3-4-7-19(18)34(32)39/h3-14H,15-16H2,1-2H3
InChI Key:
NOPFRRVTMVFRNB-UHFFFAOYSA-N
SMILES:
COc1cccc2c1c(c1cnc3c4c1cc1OCOc1c4c1c(C3=O)cccc1)c1c3c2c2OCOc2cc3ccn1C
Properties
Complexity:
1180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
578.148g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
578.58g/mol
Monoisotopic Mass:
578.148g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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