2,3,9-trimethoxy-2,3,4,4a,5,6,8,8a,9,10,11,12,12a,13,13a,13b-hexadecahydro-1H-isoquinolino[2,1-b]isoquinoline-4,10-diol

C20H35NO5 — CID 163169795

IUPAC2,3,9-trimethoxy-2,3,4,4a,5,6,8,8a,9,10,11,12,12a,13,13a,13b-hexadecahydro-1H-isoquinolino[2,1-b]isoquinoline-4,10-diol
SMILESCOC1CC2C(CCN3CC4C(CCC(O)C4OC)CC23)C(O)C1OC
InChIInChI=1S/C20H35NO5/c1-24-17-9-13-12(18(23)20(17)26-3)6-7-21-10-14-11(8-15(13)21)4-5-16(22)19(14)25-2/h11-20,22-23H,4-10H2,1-3H3
InChIKeyCXWYPMNDJNCOLU-UHFFFAOYSA-N
MW369.50 g/mol
LogP0.89
Rot. Bonds3

About 2,3,9-trimethoxy-2,3,4,4a,5,6,8,8a,9,10,11,12,12a,13,13a,13b-hexadecahydro-1H-isoquinolino[2,1-b]isoquinoline-4,10-diol

2,3,9-trimethoxy-2,3,4,4a,5,6,8,8a,9,10,11,12,12a,13,13a,13b-hexadecahydro-1H-isoquinolino[2,1-b]isoquinoline-4,10-diol (PubChem CID 163169795) has the molecular formula C20H35NO5 and a molecular weight of 369.50 g/mol. Its IUPAC name is 2,3,9-trimethoxy-2,3,4,4a,5,6,8,8a,9,10,11,12,12a,13,13a,13b-hexadecahydro-1H-isoquinolino[2,1-b]isoquinoline-4,10-diol.

Molecular Properties

Compound Name2,3,9-trimethoxy-2,3,4,4a,5,6,8,8a,9,10,11,12,12a,13,13a,13b-hexadecahydro-1H-isoquinolino[2,1-b]isoquinoline-4,10-diol
PubChem CID163169795
Molecular FormulaC20H35NO5
Molecular Weight369.50 g/mol
Exact Mass369.25
IUPAC Name2,3,9-trimethoxy-2,3,4,4a,5,6,8,8a,9,10,11,12,12a,13,13a,13b-hexadecahydro-1H-isoquinolino[2,1-b]isoquinoline-4,10-diol
SMILESCOC1CC2C(CCN3CC4C(CCC(O)C4OC)CC23)C(O)C1OC
InChIInChI=1S/C20H35NO5/c1-24-17-9-13-12(18(23)20(17)26-3)6-7-21-10-14-11(8-15(13)21)4-5-16(22)19(14)25-2/h11-20,22-23H,4-10H2,1-3H3
InChIKeyCXWYPMNDJNCOLU-UHFFFAOYSA-N
XLogP0.89
TPSA71.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.50
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2,3,9-trimethoxy-2,3,4,4a,5,6,8,8a,9,10,11,12,12a,13,13a,13b-hexadecahydro-1H-isoquinolino[2,1-b]isoquinoline-4,10-diol 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

16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosan-11-ol
CID 163118242
(11S)-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosan-11-ol
CID 163118246
2,9,10-triethoxy-2,3,4,4a,5,6,8,8a,9,10,11,12,12a,13,13a,13b-hexadecahydro-1H-isoquinolino[2,1-b]isoquinolin-3-ol
CID 163144457
2,3,9,10-tetraethoxy-2,3,4,4a,5,6,8,8a,9,10,11,12,12a,13,13a,13b-hexadecahydro-1H-isoquinolino[2,1-b]isoquinoline
CID 163143001
3,16,17-trimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosane
CID 163127425
2-(3-methoxy-4-methylpiperidin-1-yl)cyclooctan-1-ol
CID 102966062
(2aS,8bR)-1,2,2a,3,5,6,7,8,8a,8b-decahydrocyclobuta[a]indolizin-7-ol
CID 82413598
(1S,2R,3S)-3-methoxycyclopentane-1,2-diol
CID 130972133
5-methoxytetracyclo[6.2.1.13,6.02,7]dodecan-4-ol
CID 70849409
2,9,10-trimethoxy-1,2,3,4,4a,5,6,7,8,8a,9,10,11,12,12a,13,13a,13b-octadecahydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol
CID 163119712
2-(3,4-dimethoxypyrrolidin-1-yl)-4-ethylcyclohexan-1-ol
CID 103537746
trans-(1R,2R)-2-(3-methoxypyrrolidin-1-yl)cyclohexan-1-ol
CID 103536869

Frequently Asked Questions

What is the IUPAC name of 2,3,9-trimethoxy-2,3,4,4a,5,6,8,8a,9,10,11,12,12a,13,13a,13b-hexadecahydro-1H-isoquinolino[2,1-b]isoquinoline-4,10-diol?
The IUPAC name of 2,3,9-trimethoxy-2,3,4,4a,5,6,8,8a,9,10,11,12,12a,13,13a,13b-hexadecahydro-1H-isoquinolino[2,1-b]isoquinoline-4,10-diol (CID 163169795) is 2,3,9-trimethoxy-2,3,4,4a,5,6,8,8a,9,10,11,12,12a,13,13a,13b-hexadecahydro-1H-isoquinolino[2,1-b]isoquinoline-4,10-diol.
What is the SMILES notation for 2,3,9-trimethoxy-2,3,4,4a,5,6,8,8a,9,10,11,12,12a,13,13a,13b-hexadecahydro-1H-isoquinolino[2,1-b]isoquinoline-4,10-diol?
The canonical SMILES for 2,3,9-trimethoxy-2,3,4,4a,5,6,8,8a,9,10,11,12,12a,13,13a,13b-hexadecahydro-1H-isoquinolino[2,1-b]isoquinoline-4,10-diol is COC1CC2C(CCN3CC4C(CCC(O)C4OC)CC23)C(O)C1OC.
What is the InChIKey of 2,3,9-trimethoxy-2,3,4,4a,5,6,8,8a,9,10,11,12,12a,13,13a,13b-hexadecahydro-1H-isoquinolino[2,1-b]isoquinoline-4,10-diol?
The InChIKey is CXWYPMNDJNCOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO5/c1-24-17-9-13-12(18(23)20(17)26-3)6-7-21-10-14-11(8-15(13)21)4-5-16(22)19(14)25-2/h11-20,22-23H,4-10H2,1-3H3.
What are the key properties of 2,3,9-trimethoxy-2,3,4,4a,5,6,8,8a,9,10,11,12,12a,13,13a,13b-hexadecahydro-1H-isoquinolino[2,1-b]isoquinoline-4,10-diol?
2,3,9-trimethoxy-2,3,4,4a,5,6,8,8a,9,10,11,12,12a,13,13a,13b-hexadecahydro-1H-isoquinolino[2,1-b]isoquinoline-4,10-diol has a molecular weight of 369.50 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,9-trimethoxy-2,3,4,4a,5,6,8,8a,9,10,11,12,12a,13,13a,13b-hexadecahydro-1H-isoquinolino[2,1-b]isoquinoline-4,10-diol is sourced from PubChem (CID 163169795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).