11,12-dimethoxy-17-azatetracyclo[8.8.1.02,7.014,19]nonadeca-2,4,6,10(19),11,13-hexaene

C20H23NO2 — CID 10063944

IUPAC11,12-dimethoxy-17-azatetracyclo[8.8.1.02,7.014,19]nonadeca-2,4,6,10(19),11,13-hexaene
SMILESCOc1cc2c3c(c1OC)CCc1ccccc1C3CNCC2
InChIInChI=1S/C20H23NO2/c1-22-18-11-14-9-10-21-12-17-15-6-4-3-5-13(15)7-8-16(19(14)17)20(18)23-2/h3-6,11,17,21H,7-10,12H2,1-2H3
InChIKeyGPKCYEWQKAHEPT-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.08
Rot. Bonds2

About 11,12-dimethoxy-17-azatetracyclo[8.8.1.02,7.014,19]nonadeca-2,4,6,10(19),11,13-hexaene

11,12-dimethoxy-17-azatetracyclo[8.8.1.02,7.014,19]nonadeca-2,4,6,10(19),11,13-hexaene (PubChem CID 10063944) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 11,12-dimethoxy-17-azatetracyclo[8.8.1.02,7.014,19]nonadeca-2,4,6,10(19),11,13-hexaene.

Molecular Properties

Compound Name11,12-dimethoxy-17-azatetracyclo[8.8.1.02,7.014,19]nonadeca-2,4,6,10(19),11,13-hexaene
PubChem CID10063944
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name11,12-dimethoxy-17-azatetracyclo[8.8.1.02,7.014,19]nonadeca-2,4,6,10(19),11,13-hexaene
SMILESCOc1cc2c3c(c1OC)CCc1ccccc1C3CNCC2
InChIInChI=1S/C20H23NO2/c1-22-18-11-14-9-10-21-12-17-15-6-4-3-5-13(15)7-8-16(19(14)17)20(18)23-2/h3-6,11,17,21H,7-10,12H2,1-2H3
InChIKeyGPKCYEWQKAHEPT-UHFFFAOYSA-N
XLogP3.08
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 11,12-dimethoxy-17-azatetracyclo[8.8.1.02,7.014,19]nonadeca-2,4,6,10(19),11,13-hexaene with MolForge

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Related Compounds

16-benzyl-12,13-dimethoxy-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-2,4,6,10,12,14(18)-hexaene
CID 13472787
8-azatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4,11,13,15-hexaene-2,3-diol
CID 10061506
1-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene
CID 91416064
16-azatetracyclo[8.7.1.02,7.014,18]octadeca-2,4,6,10,12,14(18)-hexaene-12,13-diol
CID 13472816
(1S)-1-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 42054648
(5S)-8-methoxy-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol
CID 102328393
7,8-dimethoxy-5-phenyl-9-propyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 20529912
(4S)-4-(3,4-dimethoxyphenyl)-7,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 67721838
6,7,14,15-tetramethoxytetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaene
CID 172869288
5-fluoro-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 84717049
1-(4-methoxy-3-methylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 54031428
5-ethyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 66614248

Frequently Asked Questions

What is the IUPAC name of 11,12-dimethoxy-17-azatetracyclo[8.8.1.02,7.014,19]nonadeca-2,4,6,10(19),11,13-hexaene?
The IUPAC name of 11,12-dimethoxy-17-azatetracyclo[8.8.1.02,7.014,19]nonadeca-2,4,6,10(19),11,13-hexaene (CID 10063944) is 11,12-dimethoxy-17-azatetracyclo[8.8.1.02,7.014,19]nonadeca-2,4,6,10(19),11,13-hexaene.
What is the SMILES notation for 11,12-dimethoxy-17-azatetracyclo[8.8.1.02,7.014,19]nonadeca-2,4,6,10(19),11,13-hexaene?
The canonical SMILES for 11,12-dimethoxy-17-azatetracyclo[8.8.1.02,7.014,19]nonadeca-2,4,6,10(19),11,13-hexaene is COc1cc2c3c(c1OC)CCc1ccccc1C3CNCC2.
What is the InChIKey of 11,12-dimethoxy-17-azatetracyclo[8.8.1.02,7.014,19]nonadeca-2,4,6,10(19),11,13-hexaene?
The InChIKey is GPKCYEWQKAHEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-22-18-11-14-9-10-21-12-17-15-6-4-3-5-13(15)7-8-16(19(14)17)20(18)23-2/h3-6,11,17,21H,7-10,12H2,1-2H3.
What are the key properties of 11,12-dimethoxy-17-azatetracyclo[8.8.1.02,7.014,19]nonadeca-2,4,6,10(19),11,13-hexaene?
11,12-dimethoxy-17-azatetracyclo[8.8.1.02,7.014,19]nonadeca-2,4,6,10(19),11,13-hexaene has a molecular weight of 309.41 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11,12-dimethoxy-17-azatetracyclo[8.8.1.02,7.014,19]nonadeca-2,4,6,10(19),11,13-hexaene is sourced from PubChem (CID 10063944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).