4,5,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),3,5,13,15-pentaene

C20H25NO4 — CID 56959610

IUPAC4,5,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),3,5,13,15-pentaene
SMILESCOC1=CC2CC3NCCc4cc(OC)c(OC)c(c43)C2C=C1OC
InChIInChI=1S/C20H25NO4/c1-22-15-9-12-7-14-18-11(5-6-21-14)8-17(24-3)20(25-4)19(18)13(12)10-16(15)23-2/h8-10,12-14,21H,5-7H2,1-4H3
InChIKeyVABWGWZIIXYSJE-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.07
Rot. Bonds4

About 4,5,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),3,5,13,15-pentaene

4,5,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),3,5,13,15-pentaene (PubChem CID 56959610) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is 4,5,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),3,5,13,15-pentaene.

Molecular Properties

Compound Name4,5,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),3,5,13,15-pentaene
PubChem CID56959610
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name4,5,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),3,5,13,15-pentaene
SMILESCOC1=CC2CC3NCCc4cc(OC)c(OC)c(c43)C2C=C1OC
InChIInChI=1S/C20H25NO4/c1-22-15-9-12-7-14-18-11(5-6-21-14)8-17(24-3)20(25-4)19(18)13(12)10-16(15)23-2/h8-10,12-14,21H,5-7H2,1-4H3
InChIKeyVABWGWZIIXYSJE-UHFFFAOYSA-N
XLogP3.07
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,5,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),3,5,13,15-pentaene
CID 56959613
1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
CID 5320211
(6aS)-1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol
CID 101426476
6,7,8-trimethoxy-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
CID 83970461
1,10-dimethoxy-2,9-di(propan-2-yloxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
CID 11350028
[(6aS)-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl] trifluoromethanesulfonate
CID 154049412
6,7-dimethoxy-8-nitro-1,2,3,4-tetrahydroisoquinolin-1-ol
CID 71428159
7-ethoxy-6,8-dimethoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
CID 112514013
(2R,4S)-10,11-dimethoxyspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohex-2-ene]-1'-one
CID 163036016
11,12-dimethoxy-17-azatetracyclo[8.8.1.02,7.014,19]nonadeca-2,4,6,10(19),11,13-hexaene
CID 10063944
1-(4-iodophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3998225
1-chloro-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 141053533

Frequently Asked Questions

What is the IUPAC name of 4,5,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),3,5,13,15-pentaene?
The IUPAC name of 4,5,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),3,5,13,15-pentaene (CID 56959610) is 4,5,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),3,5,13,15-pentaene.
What is the SMILES notation for 4,5,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),3,5,13,15-pentaene?
The canonical SMILES for 4,5,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),3,5,13,15-pentaene is COC1=CC2CC3NCCc4cc(OC)c(OC)c(c43)C2C=C1OC.
What is the InChIKey of 4,5,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),3,5,13,15-pentaene?
The InChIKey is VABWGWZIIXYSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-22-15-9-12-7-14-18-11(5-6-21-14)8-17(24-3)20(25-4)19(18)13(12)10-16(15)23-2/h8-10,12-14,21H,5-7H2,1-4H3.
What are the key properties of 4,5,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),3,5,13,15-pentaene?
4,5,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),3,5,13,15-pentaene has a molecular weight of 343.42 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),3,5,13,15-pentaene is sourced from PubChem (CID 56959610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).