6,16-dimethoxy-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(14),3(8),4,6,15,17-hexaene

C20H25NO2 — CID 11573806

IUPAC6,16-dimethoxy-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(14),3(8),4,6,15,17-hexaene
SMILESCOc1ccc2c(c1)CCN(C)CCc1cc(OC)ccc1C2
InChIInChI=1S/C20H25NO2/c1-21-10-8-17-13-19(22-2)6-4-15(17)12-16-5-7-20(23-3)14-18(16)9-11-21/h4-7,13-14H,8-12H2,1-3H3
InChIKeyWZWHLVAXFSORKE-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.33
Rot. Bonds2

About 6,16-dimethoxy-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(14),3(8),4,6,15,17-hexaene

6,16-dimethoxy-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(14),3(8),4,6,15,17-hexaene (PubChem CID 11573806) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 6,16-dimethoxy-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(14),3(8),4,6,15,17-hexaene.

Molecular Properties

Compound Name6,16-dimethoxy-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(14),3(8),4,6,15,17-hexaene
PubChem CID11573806
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name6,16-dimethoxy-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(14),3(8),4,6,15,17-hexaene
SMILESCOc1ccc2c(c1)CCN(C)CCc1cc(OC)ccc1C2
InChIInChI=1S/C20H25NO2/c1-21-10-8-17-13-19(22-2)6-4-15(17)12-16-5-7-20(23-3)14-18(16)9-11-21/h4-7,13-14H,8-12H2,1-3H3
InChIKeyWZWHLVAXFSORKE-UHFFFAOYSA-N
XLogP3.33
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6,16-dimethoxy-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(14),3(8),4,6,15,17-hexaene 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

5,6,12,13,19-pentamethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(17),3,5,7,10,12,14,18,20-nonaene
CID 102106088
7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-ol
CID 122468703
7-deuterio-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline
CID 175826905
7-methoxy-3-phenyl-1,2,4,5-tetrahydro-3-benzazepine
CID 57042717
7-methoxy-1,2-dimethyl-3,4-dihydrocinnoline
CID 58095808
3,6-dimethoxy-10H-anthracen-9-one
CID 142018270
6-methoxy-2-pentyl-3,4-dihydro-1H-isoquinoline
CID 68537922
7-methoxy-3-(2-phenylethyl)-1,2,4,5-tetrahydro-3-benzazepine
CID 23331334
2-(3-chloropropyl)-6-methoxy-3,4-dihydro-1H-isoquinoline
CID 18176535
1-(4-cyclopentylpiperazin-1-yl)ethanone;7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine
CID 143540790
7-methoxy-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine
CID 23331357
7,8-dimethoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride
CID 23462892

Frequently Asked Questions

What is the IUPAC name of 6,16-dimethoxy-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(14),3(8),4,6,15,17-hexaene?
The IUPAC name of 6,16-dimethoxy-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(14),3(8),4,6,15,17-hexaene (CID 11573806) is 6,16-dimethoxy-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(14),3(8),4,6,15,17-hexaene.
What is the SMILES notation for 6,16-dimethoxy-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(14),3(8),4,6,15,17-hexaene?
The canonical SMILES for 6,16-dimethoxy-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(14),3(8),4,6,15,17-hexaene is COc1ccc2c(c1)CCN(C)CCc1cc(OC)ccc1C2.
What is the InChIKey of 6,16-dimethoxy-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(14),3(8),4,6,15,17-hexaene?
The InChIKey is WZWHLVAXFSORKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-21-10-8-17-13-19(22-2)6-4-15(17)12-16-5-7-20(23-3)14-18(16)9-11-21/h4-7,13-14H,8-12H2,1-3H3.
What are the key properties of 6,16-dimethoxy-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(14),3(8),4,6,15,17-hexaene?
6,16-dimethoxy-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(14),3(8),4,6,15,17-hexaene has a molecular weight of 311.43 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,16-dimethoxy-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(14),3(8),4,6,15,17-hexaene is sourced from PubChem (CID 11573806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).