Free Chemical Databases
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[Synonyms]
[Structure]
[ Properties Computed from Structure]
Molecular Weight 283.36484 [g/mol] Molecular Formula C18H21NO2 XLogP 4.5 H-Bond Donor 0 H-Bond Acceptor 3 Rotatable Bond Count 1 Exact Mass 283.157229 MonoIsotopic Mass 283.157229 Topological Polar Surface Area 31.4 Heavy Atom Count 21 Formal Charge 0 Complexity 379 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 7-methyl-5-(1-methylcyclohexyl)-[1,3]dioxolo[4,5-g]isoquinoline
Canonical SMILES: CC1=CC2=CC3=C(C=C2C(=N1)C4(CCCCC4)C)OCO3
InChI: InChI=1/C18H21NO2/c1-12-8-13-9-15-16(21-11-20-15)10-14(13)17(19-12)18(2)
6-4-3-5-7-18/h8-10H,3-7,11H2,1-2H3
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