10,11,12,17-tetramethoxy-3,4-diazatetracyclo[12.4.0.02,6.08,13]octadeca-1(14),2(6),4,8,10,12,15,17-octaene

C20H20N2O4 — CID 10360654

IUPAC10,11,12,17-tetramethoxy-3,4-diazatetracyclo[12.4.0.02,6.08,13]octadeca-1(14),2(6),4,8,10,12,15,17-octaene
SMILESCOc1ccc2c(c1)-c1[nH]ncc1Cc1cc(OC)c(OC)c(OC)c1-2
InChIInChI=1S/C20H20N2O4/c1-23-13-5-6-14-15(9-13)18-12(10-21-22-18)7-11-8-16(24-2)19(25-3)20(26-4)17(11)14/h5-6,8-10H,7H2,1-4H3,(H,21,22)
InChIKeyDRFWXNYWSRNPKY-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.68
Rot. Bonds4

About 10,11,12,17-tetramethoxy-3,4-diazatetracyclo[12.4.0.02,6.08,13]octadeca-1(14),2(6),4,8,10,12,15,17-octaene

10,11,12,17-tetramethoxy-3,4-diazatetracyclo[12.4.0.02,6.08,13]octadeca-1(14),2(6),4,8,10,12,15,17-octaene (PubChem CID 10360654) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 10,11,12,17-tetramethoxy-3,4-diazatetracyclo[12.4.0.02,6.08,13]octadeca-1(14),2(6),4,8,10,12,15,17-octaene.

Molecular Properties

Compound Name10,11,12,17-tetramethoxy-3,4-diazatetracyclo[12.4.0.02,6.08,13]octadeca-1(14),2(6),4,8,10,12,15,17-octaene
PubChem CID10360654
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name10,11,12,17-tetramethoxy-3,4-diazatetracyclo[12.4.0.02,6.08,13]octadeca-1(14),2(6),4,8,10,12,15,17-octaene
SMILESCOc1ccc2c(c1)-c1[nH]ncc1Cc1cc(OC)c(OC)c(OC)c1-2
InChIInChI=1S/C20H20N2O4/c1-23-13-5-6-14-15(9-13)18-12(10-21-22-18)7-11-8-16(24-2)19(25-3)20(26-4)17(11)14/h5-6,8-10H,7H2,1-4H3,(H,21,22)
InChIKeyDRFWXNYWSRNPKY-UHFFFAOYSA-N
XLogP3.68
TPSA65.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 10,11,12,17-tetramethoxy-3,4-diazatetracyclo[12.4.0.02,6.08,13]octadeca-1(14),2(6),4,8,10,12,15,17-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10,11,12,17-tetramethoxy-3,4-diazatetracyclo[12.4.0.02,6.08,13]octadeca-1(14),2(6),4,8,10,12,15,17-octaene?
The IUPAC name of 10,11,12,17-tetramethoxy-3,4-diazatetracyclo[12.4.0.02,6.08,13]octadeca-1(14),2(6),4,8,10,12,15,17-octaene (CID 10360654) is 10,11,12,17-tetramethoxy-3,4-diazatetracyclo[12.4.0.02,6.08,13]octadeca-1(14),2(6),4,8,10,12,15,17-octaene.
What is the SMILES notation for 10,11,12,17-tetramethoxy-3,4-diazatetracyclo[12.4.0.02,6.08,13]octadeca-1(14),2(6),4,8,10,12,15,17-octaene?
The canonical SMILES for 10,11,12,17-tetramethoxy-3,4-diazatetracyclo[12.4.0.02,6.08,13]octadeca-1(14),2(6),4,8,10,12,15,17-octaene is COc1ccc2c(c1)-c1[nH]ncc1Cc1cc(OC)c(OC)c(OC)c1-2.
What is the InChIKey of 10,11,12,17-tetramethoxy-3,4-diazatetracyclo[12.4.0.02,6.08,13]octadeca-1(14),2(6),4,8,10,12,15,17-octaene?
The InChIKey is DRFWXNYWSRNPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-23-13-5-6-14-15(9-13)18-12(10-21-22-18)7-11-8-16(24-2)19(25-3)20(26-4)17(11)14/h5-6,8-10H,7H2,1-4H3,(H,21,22).
What are the key properties of 10,11,12,17-tetramethoxy-3,4-diazatetracyclo[12.4.0.02,6.08,13]octadeca-1(14),2(6),4,8,10,12,15,17-octaene?
10,11,12,17-tetramethoxy-3,4-diazatetracyclo[12.4.0.02,6.08,13]octadeca-1(14),2(6),4,8,10,12,15,17-octaene has a molecular weight of 352.39 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10,11,12,17-tetramethoxy-3,4-diazatetracyclo[12.4.0.02,6.08,13]octadeca-1(14),2(6),4,8,10,12,15,17-octaene is sourced from PubChem (CID 10360654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).