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72002-80-3 | 5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinolin-12-ol, 6,7,7a,8-tetrahydro-11-methoxy-7-methyl-
CAS No: 72002-80-3 Catalog No: AG005EBE MDL No:
Product Description
Catalog Number:
AG005EBE
Chemical Name:
5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinolin-12-ol, 6,7,7a,8-tetrahydro-11-methoxy-7-methyl-
CAS Number:
72002-80-3
Molecular Formula:
C19H19NO4
Molecular Weight:
325.3585
IUPAC Name:
17-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-18-ol
InChI:
InChI=1S/C19H19NO4/c1-20-6-5-11-8-14-19(24-9-23-14)17-15(11)12(20)7-10-3-4-13(22-2)18(21)16(10)17/h3-4,8,12,21H,5-7,9H2,1-2H3
InChI Key:
LODGIKWNLDQZBM-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1O)c1c3OCOc3cc3c1C(C2)N(C)CC3
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.131g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
325.364g/mol
Monoisotopic Mass:
325.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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