5,17,18,19-tetramethoxy-9,11-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-10-amine

C21H21N3O4 — CID 162660956

IUPAC5,17,18,19-tetramethoxy-9,11-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-10-amine
SMILESCOc1ccc2c(c1)-c1nc(N)ncc1Cc1cc(OC)c(OC)c(OC)c1-2
InChIInChI=1S/C21H21N3O4/c1-25-13-5-6-14-15(9-13)18-12(10-23-21(22)24-18)7-11-8-16(26-2)19(27-3)20(28-4)17(11)14/h5-6,8-10H,7H2,1-4H3,(H2,22,23,24)
InChIKeyVGOKZYLVOVEXON-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.33
Rot. Bonds4

About 5,17,18,19-tetramethoxy-9,11-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-10-amine

5,17,18,19-tetramethoxy-9,11-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-10-amine (PubChem CID 162660956) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 5,17,18,19-tetramethoxy-9,11-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-10-amine.

Molecular Properties

Compound Name5,17,18,19-tetramethoxy-9,11-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-10-amine
PubChem CID162660956
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name5,17,18,19-tetramethoxy-9,11-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-10-amine
SMILESCOc1ccc2c(c1)-c1nc(N)ncc1Cc1cc(OC)c(OC)c(OC)c1-2
InChIInChI=1S/C21H21N3O4/c1-25-13-5-6-14-15(9-13)18-12(10-23-21(22)24-18)7-11-8-16(26-2)19(27-3)20(28-4)17(11)14/h5-6,8-10H,7H2,1-4H3,(H2,22,23,24)
InChIKeyVGOKZYLVOVEXON-UHFFFAOYSA-N
XLogP3.33
TPSA88.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5,17,18,19-tetramethoxy-9,11-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-10-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,17,18,19-tetramethoxy-9,11-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-10-amine?
The IUPAC name of 5,17,18,19-tetramethoxy-9,11-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-10-amine (CID 162660956) is 5,17,18,19-tetramethoxy-9,11-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-10-amine.
What is the SMILES notation for 5,17,18,19-tetramethoxy-9,11-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-10-amine?
The canonical SMILES for 5,17,18,19-tetramethoxy-9,11-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-10-amine is COc1ccc2c(c1)-c1nc(N)ncc1Cc1cc(OC)c(OC)c(OC)c1-2.
What is the InChIKey of 5,17,18,19-tetramethoxy-9,11-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-10-amine?
The InChIKey is VGOKZYLVOVEXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-25-13-5-6-14-15(9-13)18-12(10-23-21(22)24-18)7-11-8-16(26-2)19(27-3)20(28-4)17(11)14/h5-6,8-10H,7H2,1-4H3,(H2,22,23,24).
What are the key properties of 5,17,18,19-tetramethoxy-9,11-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-10-amine?
5,17,18,19-tetramethoxy-9,11-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-10-amine has a molecular weight of 379.42 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,17,18,19-tetramethoxy-9,11-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-10-amine is sourced from PubChem (CID 162660956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).