5,8-dimethoxy-10-methyl-10,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,8,13(17),14-heptaene-11,12-dione

C18H14N2O4 — CID 15742443

IUPAC5,8-dimethoxy-10-methyl-10,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,8,13(17),14-heptaene-11,12-dione
SMILESCOc1ccc2c(c1)c(OC)c1c3c(ccnc32)C(=O)C(=O)N1C
InChIInChI=1S/C18H14N2O4/c1-20-15-13-11(16(21)18(20)22)6-7-19-14(13)10-5-4-9(23-2)8-12(10)17(15)24-3/h4-8H,1-3H3
InChIKeyXISBOSGBWCHVLA-UHFFFAOYSA-N
MW322.32 g/mol
LogP2.56
Rot. Bonds2

About 5,8-dimethoxy-10-methyl-10,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,8,13(17),14-heptaene-11,12-dione

5,8-dimethoxy-10-methyl-10,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,8,13(17),14-heptaene-11,12-dione (PubChem CID 15742443) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 g/mol. Its IUPAC name is 5,8-dimethoxy-10-methyl-10,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,8,13(17),14-heptaene-11,12-dione.

Molecular Properties

Compound Name5,8-dimethoxy-10-methyl-10,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,8,13(17),14-heptaene-11,12-dione
PubChem CID15742443
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC Name5,8-dimethoxy-10-methyl-10,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,8,13(17),14-heptaene-11,12-dione
SMILESCOc1ccc2c(c1)c(OC)c1c3c(ccnc32)C(=O)C(=O)N1C
InChIInChI=1S/C18H14N2O4/c1-20-15-13-11(16(21)18(20)22)6-7-19-14(13)10-5-4-9(23-2)8-12(10)17(15)24-3/h4-8H,1-3H3
InChIKeyXISBOSGBWCHVLA-UHFFFAOYSA-N
XLogP2.56
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5,8-dimethoxy-10-methyl-10,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,8,13(17),14-heptaene-11,12-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethoxy-10-methyl-10,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,8,13(17),14-heptaene-11,12-dione?
The IUPAC name of 5,8-dimethoxy-10-methyl-10,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,8,13(17),14-heptaene-11,12-dione (CID 15742443) is 5,8-dimethoxy-10-methyl-10,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,8,13(17),14-heptaene-11,12-dione.
What is the SMILES notation for 5,8-dimethoxy-10-methyl-10,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,8,13(17),14-heptaene-11,12-dione?
The canonical SMILES for 5,8-dimethoxy-10-methyl-10,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,8,13(17),14-heptaene-11,12-dione is COc1ccc2c(c1)c(OC)c1c3c(ccnc32)C(=O)C(=O)N1C.
What is the InChIKey of 5,8-dimethoxy-10-methyl-10,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,8,13(17),14-heptaene-11,12-dione?
The InChIKey is XISBOSGBWCHVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4/c1-20-15-13-11(16(21)18(20)22)6-7-19-14(13)10-5-4-9(23-2)8-12(10)17(15)24-3/h4-8H,1-3H3.
What are the key properties of 5,8-dimethoxy-10-methyl-10,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,8,13(17),14-heptaene-11,12-dione?
5,8-dimethoxy-10-methyl-10,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,8,13(17),14-heptaene-11,12-dione has a molecular weight of 322.32 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethoxy-10-methyl-10,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,8,13(17),14-heptaene-11,12-dione is sourced from PubChem (CID 15742443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).