11,12-dimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinoline-2,9-diol

C18H21NO4 — CID 73064888

IUPAC11,12-dimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinoline-2,9-diol
SMILESCOc1cc2c(cc1OC)C13CC(O)C=CC1=CCN3CC2O
InChIInChI=1S/C18H21NO4/c1-22-16-7-13-14(8-17(16)23-2)18-9-12(20)4-3-11(18)5-6-19(18)10-15(13)21/h3-5,7-8,12,15,20-21H,6,9-10H2,1-2H3
InChIKeyLRCYONYSPOTFTD-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.51
Rot. Bonds2

About 11,12-dimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinoline-2,9-diol

11,12-dimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinoline-2,9-diol (PubChem CID 73064888) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is 11,12-dimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinoline-2,9-diol.

Molecular Properties

Compound Name11,12-dimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinoline-2,9-diol
PubChem CID73064888
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name11,12-dimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinoline-2,9-diol
SMILESCOc1cc2c(cc1OC)C13CC(O)C=CC1=CCN3CC2O
InChIInChI=1S/C18H21NO4/c1-22-16-7-13-14(8-17(16)23-2)18-9-12(20)4-3-11(18)5-6-19(18)10-15(13)21/h3-5,7-8,12,15,20-21H,6,9-10H2,1-2H3
InChIKeyLRCYONYSPOTFTD-UHFFFAOYSA-N
XLogP1.51
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 11,12-dimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinoline-2,9-diol with MolForge

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Related Compounds

(13bS)-2,11,12-trimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinolin-9-ol
CID 129317090
(2R,9R,13bS)-2,11,12-trimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinolin-9-ol
CID 11336443
(2R,9R,13bR)-2,11,12-trimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinolin-9-ol
CID 162917505
2,11,12-trimethoxy-2,3,4,6,8,9-hexahydro-1H-indolo[7a,1-a]isoquinolin-9-ol
CID 162802318
4,5,17-trimethoxy-11-azatetracyclo[9.7.0.01,14.02,7]octadeca-2,4,6,13,15-pentaene
CID 5317075
[(2R,13bS)-11,12-dimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinolin-2-yl] acetate
CID 11393681
6,7-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 14334290
(5S,13aS)-5-hydroxy-2,3,10,11-tetramethoxy-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-8-one
CID 11811109
(1S)-2-hydroxy-6,7-dimethoxy-1,4,4-trimethyl-1,3-dihydroisoquinoline
CID 134926125
9,10-dimethoxy-3-(2-methylpropyl)-1,2,3,4-tetrahydrobenzo[a]quinolizine-2,6,6,7,7,11b-hexol
CID 135244012
(1S)-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-ol
CID 79837765
5,6-dimethoxy-N,3,3-trimethyl-1,2-dihydroinden-1-amine
CID 79838516

Frequently Asked Questions

What is the IUPAC name of 11,12-dimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinoline-2,9-diol?
The IUPAC name of 11,12-dimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinoline-2,9-diol (CID 73064888) is 11,12-dimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinoline-2,9-diol.
What is the SMILES notation for 11,12-dimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinoline-2,9-diol?
The canonical SMILES for 11,12-dimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinoline-2,9-diol is COc1cc2c(cc1OC)C13CC(O)C=CC1=CCN3CC2O.
What is the InChIKey of 11,12-dimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinoline-2,9-diol?
The InChIKey is LRCYONYSPOTFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-22-16-7-13-14(8-17(16)23-2)18-9-12(20)4-3-11(18)5-6-19(18)10-15(13)21/h3-5,7-8,12,15,20-21H,6,9-10H2,1-2H3.
What are the key properties of 11,12-dimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinoline-2,9-diol?
11,12-dimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinoline-2,9-diol has a molecular weight of 315.37 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11,12-dimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinoline-2,9-diol is sourced from PubChem (CID 73064888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).