3,9,12-trimethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinolin-2-ol

C21H25NO4 — CID 78011377

IUPAC3,9,12-trimethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinolin-2-ol
SMILESCOc1cc2c(cc1O)C1Cc3c(OC)ccc(OC)c3CN1C(C)C2
InChIInChI=1S/C21H25NO4/c1-12-7-13-8-21(26-4)18(23)10-14(13)17-9-15-16(11-22(12)17)20(25-3)6-5-19(15)24-2/h5-6,8,10,12,17,23H,7,9,11H2,1-4H3
InChIKeyPTJKGGQGXVPAHE-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.46
Rot. Bonds3

About 3,9,12-trimethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinolin-2-ol

3,9,12-trimethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinolin-2-ol (PubChem CID 78011377) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is 3,9,12-trimethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinolin-2-ol.

Molecular Properties

Compound Name3,9,12-trimethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinolin-2-ol
PubChem CID78011377
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name3,9,12-trimethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinolin-2-ol
SMILESCOc1cc2c(cc1O)C1Cc3c(OC)ccc(OC)c3CN1C(C)C2
InChIInChI=1S/C21H25NO4/c1-12-7-13-8-21(26-4)18(23)10-14(13)17-9-15-16(11-22(12)17)20(25-3)6-5-19(15)24-2/h5-6,8,10,12,17,23H,7,9,11H2,1-4H3
InChIKeyPTJKGGQGXVPAHE-UHFFFAOYSA-N
XLogP3.46
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,9,12-trimethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinolin-2-ol with MolForge

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Related Compounds

(6R,13aS)-3,9,11-trimethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinolin-2-ol
CID 71109992
(6R)-2,3,9,10-tetramethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinoline
CID 90073500
(6S)-2,3,9,10-tetramethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinoline
CID 90073371
9-methoxy-2-(2-methoxyprop-1-enyl)-3,6-dimethyl-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizin-10-ol
CID 78011326
9,12-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,3-diol
CID 78011274
2-(1-hydroxy-3-methoxybut-2-en-2-yl)-9-methoxy-3,6-dimethyl-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizin-10-ol
CID 78011333
(3,9,11-trimethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinolin-12-yl)methanol
CID 78011332
(13aR)-3,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,9-diol
CID 1152279
(8R,13aS)-3-methoxy-8-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,9-diol
CID 639024
(13aR)-3,9,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-2-ol
CID 71261649
2-benzyl-7-methoxy-3-methyl-3,4-dihydro-1H-isoquinolin-6-ol
CID 70688134
(13aS)-9-ethoxy-3-methoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,10-diol
CID 134155502

Frequently Asked Questions

What is the IUPAC name of 3,9,12-trimethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinolin-2-ol?
The IUPAC name of 3,9,12-trimethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinolin-2-ol (CID 78011377) is 3,9,12-trimethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinolin-2-ol.
What is the SMILES notation for 3,9,12-trimethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinolin-2-ol?
The canonical SMILES for 3,9,12-trimethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinolin-2-ol is COc1cc2c(cc1O)C1Cc3c(OC)ccc(OC)c3CN1C(C)C2.
What is the InChIKey of 3,9,12-trimethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinolin-2-ol?
The InChIKey is PTJKGGQGXVPAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-12-7-13-8-21(26-4)18(23)10-14(13)17-9-15-16(11-22(12)17)20(25-3)6-5-19(15)24-2/h5-6,8,10,12,17,23H,7,9,11H2,1-4H3.
What are the key properties of 3,9,12-trimethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinolin-2-ol?
3,9,12-trimethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinolin-2-ol has a molecular weight of 355.43 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9,12-trimethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinolin-2-ol is sourced from PubChem (CID 78011377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).