3,17-dimethoxy-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene;hydrochloride

C19H24ClNO2 — CID 70490350

IUPAC3,17-dimethoxy-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene;hydrochloride
SMILESCOC1=C2C3=C(CC=CC3=CCC3=C2C(OC)CCC3)CN1.Cl
InChIInChI=1S/C19H23NO2.ClH/c1-21-15-8-4-6-13-10-9-12-5-3-7-14-11-20-19(22-2)18(16(12)14)17(13)15;/h3,5,9,15,20H,4,6-8,10-11H2,1-2H3;1H
InChIKeyUJEFTEFWBSRWIF-UHFFFAOYSA-N
MW333.86 g/mol
LogP3.95
Rot. Bonds2

About 3,17-dimethoxy-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene;hydrochloride

3,17-dimethoxy-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene;hydrochloride (PubChem CID 70490350) has the molecular formula C19H24ClNO2 and a molecular weight of 333.86 g/mol. Its IUPAC name is 3,17-dimethoxy-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene;hydrochloride.

Molecular Properties

Compound Name3,17-dimethoxy-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene;hydrochloride
PubChem CID70490350
Molecular FormulaC19H24ClNO2
Molecular Weight333.86 g/mol
Exact Mass333.15
IUPAC Name3,17-dimethoxy-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene;hydrochloride
SMILESCOC1=C2C3=C(CC=CC3=CCC3=C2C(OC)CCC3)CN1.Cl
InChIInChI=1S/C19H23NO2.ClH/c1-21-15-8-4-6-13-10-9-12-5-3-7-14-11-20-19(22-2)18(16(12)14)17(13)15;/h3,5,9,15,20H,4,6-8,10-11H2,1-2H3;1H
InChIKeyUJEFTEFWBSRWIF-UHFFFAOYSA-N
XLogP3.95
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Ethyl-3,17-dimethoxy-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene
CID 70490212
3,17-Dimethoxy-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene
CID 70490351
3,17-Dimethoxy-5-methyl-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene
CID 70490399
3,17-Dimethoxy-5-prop-2-enyl-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene
CID 70490963
3,17-Dimethoxy-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),3,9,11,14(18)-hexaene
CID 70491132
17-Methoxy-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaen-3-ol;hydrochloride
CID 70491698
16-Azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene-3,17-diol;hydrobromide
CID 70491784
3,17-Dimethoxy-5-propyl-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene
CID 70491789
3,17-Dimethoxy-5-propan-2-yl-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene
CID 70492278
7,10-Dimethoxy-1,2,3,4,4a,5,6,10-octahydrobenzo[f]quinoline;hydrochloride
CID 70498149
7,13-dimethoxy-N-methyltricyclo[7.4.1.05,14]tetradeca-1(13),5(14),7,9,11-pentaen-4-amine
CID 88193687
5-Ethyl-3,17-dimethoxy-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),3,9,11,14(18)-hexaene;hydroiodide
CID 173420637

Frequently Asked Questions

What is the IUPAC name of 3,17-dimethoxy-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene;hydrochloride?
The IUPAC name of 3,17-dimethoxy-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene;hydrochloride (CID 70490350) is 3,17-dimethoxy-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene;hydrochloride.
What is the SMILES notation for 3,17-dimethoxy-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene;hydrochloride?
The canonical SMILES for 3,17-dimethoxy-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene;hydrochloride is COC1=C2C3=C(CC=CC3=CCC3=C2C(OC)CCC3)CN1.Cl.
What is the InChIKey of 3,17-dimethoxy-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene;hydrochloride?
The InChIKey is UJEFTEFWBSRWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2.ClH/c1-21-15-8-4-6-13-10-9-12-5-3-7-14-11-20-19(22-2)18(16(12)14)17(13)15;/h3,5,9,15,20H,4,6-8,10-11H2,1-2H3;1H.
What are the key properties of 3,17-dimethoxy-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene;hydrochloride?
3,17-dimethoxy-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene;hydrochloride has a molecular weight of 333.86 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,17-dimethoxy-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene;hydrochloride is sourced from PubChem (CID 70490350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).