3,17-dimethoxy-5-propyl-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene

C22H29NO2 — CID 70491789

IUPAC3,17-dimethoxy-5-propyl-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene
SMILESCCCC1CC2=C(C3=C(OC)NCC4=C3C(=CC2)C=CC4)C(OC)C1
InChIInChI=1S/C22H29NO2/c1-4-6-14-11-16-10-9-15-7-5-8-17-13-23-22(25-3)21(19(15)17)20(16)18(12-14)24-2/h5,7,9,14,18,23H,4,6,8,10-13H2,1-3H3
InChIKeyXZANUOVEQILABB-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.56
Rot. Bonds4

About 3,17-dimethoxy-5-propyl-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene

3,17-dimethoxy-5-propyl-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene (PubChem CID 70491789) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 3,17-dimethoxy-5-propyl-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene.

Molecular Properties

Compound Name3,17-dimethoxy-5-propyl-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene
PubChem CID70491789
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name3,17-dimethoxy-5-propyl-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene
SMILESCCCC1CC2=C(C3=C(OC)NCC4=C3C(=CC2)C=CC4)C(OC)C1
InChIInChI=1S/C22H29NO2/c1-4-6-14-11-16-10-9-15-7-5-8-17-13-23-22(25-3)21(19(15)17)20(16)18(12-14)24-2/h5,7,9,14,18,23H,4,6,8,10-13H2,1-3H3
InChIKeyXZANUOVEQILABB-UHFFFAOYSA-N
XLogP4.56
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 70490711
CID 70490915
CID 70490915
CID 70490963
CID 70490963
CID 70491132
CID 70491132
CID 70491200
CID 70491200
CID 70492278
CID 70492278
CID 173420637
CID 173420637
CID 173421024
CID 173421024

Frequently Asked Questions

What is the IUPAC name of 3,17-dimethoxy-5-propyl-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene?
The IUPAC name of 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) is 3,17-dimethoxy-5-propyl-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene.
What is the SMILES notation for 3,17-dimethoxy-5-propyl-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene?
The canonical SMILES for 3,17-dimethoxy-5-propyl-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene is CCCC1CC2=C(C3=C(OC)NCC4=C3C(=CC2)C=CC4)C(OC)C1.
What is the InChIKey of 3,17-dimethoxy-5-propyl-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene?
The InChIKey is XZANUOVEQILABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-4-6-14-11-16-10-9-15-7-5-8-17-13-23-22(25-3)21(19(15)17)20(16)18(12-14)24-2/h5,7,9,14,18,23H,4,6,8,10-13H2,1-3H3.
What are the key properties of 3,17-dimethoxy-5-propyl-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene?
3,17-dimethoxy-5-propyl-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene has a molecular weight of 339.48 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,17-dimethoxy-5-propyl-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),9,11,14(18)-pentaene is sourced from PubChem (CID 70491789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).