(1R,2S)-4,5-dimethoxy-3-methylidenespiro[1H-indene-2,5'-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]isoquinoline]-1-ol

C21H21NO5 — CID 23259359

IUPAC(1R,2S)-4,5-dimethoxy-3-methylidenespiro[1H-indene-2,5'-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]isoquinoline]-1-ol
SMILESC=C1c2c(ccc(OC)c2OC)[C@@H](O)[C@]12NCCc1cc3c(cc12)OCO3
InChIInChI=1S/C21H21NO5/c1-11-18-13(4-5-15(24-2)19(18)25-3)20(23)21(11)14-9-17-16(26-10-27-17)8-12(14)6-7-22-21/h4-5,8-9,20,22-23H,1,6-7,10H2,2-3H3/t20-,21+/m1/s1
InChIKeyDXEXRNIYXLXBTR-RTWAWAEBSA-N
MW367.40 g/mol
LogP2.53
Rot. Bonds2

About (1R,2S)-4,5-dimethoxy-3-methylidenespiro[1H-indene-2,5'-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]isoquinoline]-1-ol

(1R,2S)-4,5-dimethoxy-3-methylidenespiro[1H-indene-2,5'-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]isoquinoline]-1-ol (PubChem CID 23259359) has the molecular formula C21H21NO5 and a molecular weight of 367.40 g/mol. Its IUPAC name is (1R,2S)-4,5-dimethoxy-3-methylidenespiro[1H-indene-2,5'-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]isoquinoline]-1-ol.

Molecular Properties

Compound Name(1R,2S)-4,5-dimethoxy-3-methylidenespiro[1H-indene-2,5'-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]isoquinoline]-1-ol
PubChem CID23259359
Molecular FormulaC21H21NO5
Molecular Weight367.40 g/mol
Exact Mass367.14
IUPAC Name(1R,2S)-4,5-dimethoxy-3-methylidenespiro[1H-indene-2,5'-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]isoquinoline]-1-ol
SMILESC=C1c2c(ccc(OC)c2OC)[C@@H](O)[C@]12NCCc1cc3c(cc12)OCO3
InChIInChI=1S/C21H21NO5/c1-11-18-13(4-5-15(24-2)19(18)25-3)20(23)21(11)14-9-17-16(26-10-27-17)8-12(14)6-7-22-21/h4-5,8-9,20,22-23H,1,6-7,10H2,2-3H3/t20-,21+/m1/s1
InChIKeyDXEXRNIYXLXBTR-RTWAWAEBSA-N
XLogP2.53
TPSA69.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (1R,2S)-4,5-dimethoxy-3-methylidenespiro[1H-indene-2,5'-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]isoquinoline]-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dihydroxy-7,8-dimethoxy-17,19-dioxa-11-azapentacyclo[12.7.0.03,11.04,9.016,20]henicosa-1(21),4(9),5,7,14,16(20)-hexaen-10-one
CID 14355598
3,6-dihydroxy-7-methoxy-6'-methylspiro[3H-indene-2,5'-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline]-1-one
CID 605278
17,18-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaene
CID 163023626
1-hydroxy-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaene-14,21-dione
CID 15089360
(2R,3R)-7,8-dimethoxy-3,11-dimethyl-17,19-dioxa-11-azatetracyclo[12.7.0.04,9.016,20]henicosa-1(21),4(9),5,7,14,16(20)-hexaene-2,3-diol
CID 23257561
(1R)-16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaene
CID 6919571
(2E)-7,8-dimethoxy-2-trimethylsilyl-17,19-dioxa-11-azatetracyclo[12.7.0.04,9.016,20]henicosa-1(21),2,4(9),5,7,14,16(20)-heptaen-10-one
CID 10812316
1-(1,3-benzodioxol-5-yl)-5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3961457
methyl (9S,10R)-3,4,10-trimethoxy-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2(7),3,5,12,14(18)-hexaene-9-carboxylate
CID 44584437
(1S,12S)-14,15-dimethoxy-20,20-dimethyl-5,7-dioxa-20-azoniapentacyclo[10.7.1.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaene
CID 11653279
(3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one;hydrobromide
CID 175174260
acetic acid;(3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one
CID 174998224

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-4,5-dimethoxy-3-methylidenespiro[1H-indene-2,5'-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]isoquinoline]-1-ol?
The IUPAC name of (1R,2S)-4,5-dimethoxy-3-methylidenespiro[1H-indene-2,5'-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]isoquinoline]-1-ol (CID 23259359) is (1R,2S)-4,5-dimethoxy-3-methylidenespiro[1H-indene-2,5'-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]isoquinoline]-1-ol.
What is the SMILES notation for (1R,2S)-4,5-dimethoxy-3-methylidenespiro[1H-indene-2,5'-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]isoquinoline]-1-ol?
The canonical SMILES for (1R,2S)-4,5-dimethoxy-3-methylidenespiro[1H-indene-2,5'-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]isoquinoline]-1-ol is C=C1c2c(ccc(OC)c2OC)[C@@H](O)[C@]12NCCc1cc3c(cc12)OCO3.
What is the InChIKey of (1R,2S)-4,5-dimethoxy-3-methylidenespiro[1H-indene-2,5'-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]isoquinoline]-1-ol?
The InChIKey is DXEXRNIYXLXBTR-RTWAWAEBSA-N. The full InChI is InChI=1S/C21H21NO5/c1-11-18-13(4-5-15(24-2)19(18)25-3)20(23)21(11)14-9-17-16(26-10-27-17)8-12(14)6-7-22-21/h4-5,8-9,20,22-23H,1,6-7,10H2,2-3H3/t20-,21+/m1/s1.
What are the key properties of (1R,2S)-4,5-dimethoxy-3-methylidenespiro[1H-indene-2,5'-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]isoquinoline]-1-ol?
(1R,2S)-4,5-dimethoxy-3-methylidenespiro[1H-indene-2,5'-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]isoquinoline]-1-ol has a molecular weight of 367.40 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-4,5-dimethoxy-3-methylidenespiro[1H-indene-2,5'-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]isoquinoline]-1-ol is sourced from PubChem (CID 23259359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).