6,6'-dimethylspiro[7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-5,7'-8H-cyclopenta[g][1,3]benzodioxole]-6'-ol

C21H21NO5 — CID 14239500

IUPAC6,6'-dimethylspiro[7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-5,7'-8H-cyclopenta[g][1,3]benzodioxole]-6'-ol
SMILESCN1CCc2cc3c(cc2C12Cc1c(ccc4c1OCO4)C2(C)O)OCO3
InChIInChI=1S/C21H21NO5/c1-20(23)14-3-4-16-19(27-11-24-16)13(14)9-21(20)15-8-18-17(25-10-26-18)7-12(15)5-6-22(21)2/h3-4,7-8,23H,5-6,9-11H2,1-2H3
InChIKeyJJVSSTMCNUSNGX-UHFFFAOYSA-N
MW367.40 g/mol
LogP2.29
Rot. Bonds

About 6,6'-dimethylspiro[7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-5,7'-8H-cyclopenta[g][1,3]benzodioxole]-6'-ol

6,6'-dimethylspiro[7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-5,7'-8H-cyclopenta[g][1,3]benzodioxole]-6'-ol (PubChem CID 14239500) has the molecular formula C21H21NO5 and a molecular weight of 367.40 g/mol. Its IUPAC name is 6,6'-dimethylspiro[7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-5,7'-8H-cyclopenta[g][1,3]benzodioxole]-6'-ol.

Molecular Properties

Compound Name6,6'-dimethylspiro[7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-5,7'-8H-cyclopenta[g][1,3]benzodioxole]-6'-ol
PubChem CID14239500
Molecular FormulaC21H21NO5
Molecular Weight367.40 g/mol
Exact Mass367.14
IUPAC Name6,6'-dimethylspiro[7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-5,7'-8H-cyclopenta[g][1,3]benzodioxole]-6'-ol
SMILESCN1CCc2cc3c(cc2C12Cc1c(ccc4c1OCO4)C2(C)O)OCO3
InChIInChI=1S/C21H21NO5/c1-20(23)14-3-4-16-19(27-11-24-16)13(14)9-21(20)15-8-18-17(25-10-26-18)7-12(15)5-6-22(21)2/h3-4,7-8,23H,5-6,9-11H2,1-2H3
InChIKeyJJVSSTMCNUSNGX-UHFFFAOYSA-N
XLogP2.29
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6,6'-dimethylspiro[7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-5,7'-8H-cyclopenta[g][1,3]benzodioxole]-6'-ol with MolForge

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Related Compounds

(5R,8'R)-8'-hydroxy-6-methylspiro[7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-5,7'-8H-cyclopenta[g][1,3]benzodioxole]-6'-one
CID 10948569
15-methyl-7,9,19,21-tetraoxa-15-azapentacyclo[15.7.0.04,12.06,10.018,22]tetracosa-1(17),4,6(10),11,18(22),23-hexaene
CID 15765609
21-hydroxy-16,17-dimethoxy-21-methyl-5,7-dioxa-13-azahexacyclo[12.7.3.01,13.02,10.04,8.015,20]tetracosa-2,4(8),9,15(20),16,18-hexaen-23-one
CID 102238610
(1S)-6-hydroxy-7-methoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-6H-cyclopenta[g][1,3]benzodioxole]-8'-one
CID 23257568
(1S,13S)-14,15-dimethoxy-20-methyl-5,7-dioxa-20-azapentacyclo[11.4.3.01,13.02,10.04,8]icosa-2,4(8),9,14-tetraen-16-one
CID 44584410
6-methyl-6-(4-methyl-1,3-benzodioxol-5-yl)-7,8-dihydro-5H-benzo[f][1,3]benzodioxol-7-ol
CID 102164044
(4-methoxy-6'-methyl-3-oxospiro[1H-indene-2,5'-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline]-5-yl) acetate
CID 629720
13-methyl-6,17,19-trioxa-13-azoniahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-2,4(8),9,15(23),16(20),21-hexaen-1-ol
CID 132556205
6-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6,8-dihydrocyclopenta[g][1,3]benzodioxol-7-one
CID 162812198
8'-hydroxy-6,7-dimethoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-8H-cyclopenta[g][1,3]benzodioxole]-6'-one
CID 14218066
(1S,8'S)-8'-hydroxy-6,7-dimethoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-8H-cyclopenta[g][1,3]benzodioxole]-6'-one
CID 11731733
(1S)-1,2-dimethyl-9,11-dioxa-2-azapentacyclo[14.3.1.05,19.08,18.012,17]icosa-5(19),6,8(18),12,14,16-hexaene
CID 25190934

Frequently Asked Questions

What is the IUPAC name of 6,6'-dimethylspiro[7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-5,7'-8H-cyclopenta[g][1,3]benzodioxole]-6'-ol?
The IUPAC name of 6,6'-dimethylspiro[7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-5,7'-8H-cyclopenta[g][1,3]benzodioxole]-6'-ol (CID 14239500) is 6,6'-dimethylspiro[7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-5,7'-8H-cyclopenta[g][1,3]benzodioxole]-6'-ol.
What is the SMILES notation for 6,6'-dimethylspiro[7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-5,7'-8H-cyclopenta[g][1,3]benzodioxole]-6'-ol?
The canonical SMILES for 6,6'-dimethylspiro[7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-5,7'-8H-cyclopenta[g][1,3]benzodioxole]-6'-ol is CN1CCc2cc3c(cc2C12Cc1c(ccc4c1OCO4)C2(C)O)OCO3.
What is the InChIKey of 6,6'-dimethylspiro[7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-5,7'-8H-cyclopenta[g][1,3]benzodioxole]-6'-ol?
The InChIKey is JJVSSTMCNUSNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO5/c1-20(23)14-3-4-16-19(27-11-24-16)13(14)9-21(20)15-8-18-17(25-10-26-18)7-12(15)5-6-22(21)2/h3-4,7-8,23H,5-6,9-11H2,1-2H3.
What are the key properties of 6,6'-dimethylspiro[7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-5,7'-8H-cyclopenta[g][1,3]benzodioxole]-6'-ol?
6,6'-dimethylspiro[7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-5,7'-8H-cyclopenta[g][1,3]benzodioxole]-6'-ol has a molecular weight of 367.40 g/mol, XLogP of 2.29, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6'-dimethylspiro[7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-5,7'-8H-cyclopenta[g][1,3]benzodioxole]-6'-ol is sourced from PubChem (CID 14239500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).