4,5,14-trimethoxy-9,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione

C18H14N2O5 — CID 57326035

IUPAC4,5,14-trimethoxy-9,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione
SMILESCOc1ccc2c(n1)C(=O)c1c-2[nH]c(=O)c2cc(OC)c(OC)cc12
InChIInChI=1S/C18H14N2O5/c1-23-11-6-9-10(7-12(11)24-2)18(22)20-15-8-4-5-13(25-3)19-16(8)17(21)14(9)15/h4-7H,1-3H3,(H,20,22)
InChIKeyPCERVHUXILLHSC-UHFFFAOYSA-N
MW338.32 g/mol
LogP2.16
Rot. Bonds3

About 4,5,14-trimethoxy-9,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione

4,5,14-trimethoxy-9,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione (PubChem CID 57326035) has the molecular formula C18H14N2O5 and a molecular weight of 338.32 g/mol. Its IUPAC name is 4,5,14-trimethoxy-9,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione.

Molecular Properties

Compound Name4,5,14-trimethoxy-9,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione
PubChem CID57326035
Molecular FormulaC18H14N2O5
Molecular Weight338.32 g/mol
Exact Mass338.09
IUPAC Name4,5,14-trimethoxy-9,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione
SMILESCOc1ccc2c(n1)C(=O)c1c-2[nH]c(=O)c2cc(OC)c(OC)cc12
InChIInChI=1S/C18H14N2O5/c1-23-11-6-9-10(7-12(11)24-2)18(22)20-15-8-4-5-13(25-3)19-16(8)17(21)14(9)15/h4-7H,1-3H3,(H,20,22)
InChIKeyPCERVHUXILLHSC-UHFFFAOYSA-N
XLogP2.16
TPSA90.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4,5,14-trimethoxy-9,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,5,14-trimethoxy-9,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione?
The IUPAC name of 4,5,14-trimethoxy-9,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione (CID 57326035) is 4,5,14-trimethoxy-9,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione.
What is the SMILES notation for 4,5,14-trimethoxy-9,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione?
The canonical SMILES for 4,5,14-trimethoxy-9,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione is COc1ccc2c(n1)C(=O)c1c-2[nH]c(=O)c2cc(OC)c(OC)cc12.
What is the InChIKey of 4,5,14-trimethoxy-9,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione?
The InChIKey is PCERVHUXILLHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O5/c1-23-11-6-9-10(7-12(11)24-2)18(22)20-15-8-4-5-13(25-3)19-16(8)17(21)14(9)15/h4-7H,1-3H3,(H,20,22).
What are the key properties of 4,5,14-trimethoxy-9,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione?
4,5,14-trimethoxy-9,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione has a molecular weight of 338.32 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,14-trimethoxy-9,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione is sourced from PubChem (CID 57326035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).