18-methoxy-2,6-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),6,8,10,12,16,18-heptaen-14-one

C18H16N2O2 — CID 21400393

IUPAC18-methoxy-2,6-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),6,8,10,12,16,18-heptaen-14-one
SMILESCOc1ccc2c(c1)N1CCCN=C1c1ccccc1C2=O
InChIInChI=1S/C18H16N2O2/c1-22-12-7-8-15-16(11-12)20-10-4-9-19-18(20)14-6-3-2-5-13(14)17(15)21/h2-3,5-8,11H,4,9-10H2,1H3
InChIKeyXSOYTODRNYVYIF-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.90
Rot. Bonds1

About 18-methoxy-2,6-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),6,8,10,12,16,18-heptaen-14-one

18-methoxy-2,6-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),6,8,10,12,16,18-heptaen-14-one (PubChem CID 21400393) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 18-methoxy-2,6-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),6,8,10,12,16,18-heptaen-14-one.

Molecular Properties

Compound Name18-methoxy-2,6-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),6,8,10,12,16,18-heptaen-14-one
PubChem CID21400393
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name18-methoxy-2,6-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),6,8,10,12,16,18-heptaen-14-one
SMILESCOc1ccc2c(c1)N1CCCN=C1c1ccccc1C2=O
InChIInChI=1S/C18H16N2O2/c1-22-12-7-8-15-16(11-12)20-10-4-9-19-18(20)14-6-3-2-5-13(14)17(15)21/h2-3,5-8,11H,4,9-10H2,1H3
InChIKeyXSOYTODRNYVYIF-UHFFFAOYSA-N
XLogP2.90
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 18-methoxy-2,6-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),6,8,10,12,16,18-heptaen-14-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 18-methoxy-2,6-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),6,8,10,12,16,18-heptaen-14-one?
The IUPAC name of 18-methoxy-2,6-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),6,8,10,12,16,18-heptaen-14-one (CID 21400393) is 18-methoxy-2,6-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),6,8,10,12,16,18-heptaen-14-one.
What is the SMILES notation for 18-methoxy-2,6-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),6,8,10,12,16,18-heptaen-14-one?
The canonical SMILES for 18-methoxy-2,6-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),6,8,10,12,16,18-heptaen-14-one is COc1ccc2c(c1)N1CCCN=C1c1ccccc1C2=O.
What is the InChIKey of 18-methoxy-2,6-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),6,8,10,12,16,18-heptaen-14-one?
The InChIKey is XSOYTODRNYVYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-22-12-7-8-15-16(11-12)20-10-4-9-19-18(20)14-6-3-2-5-13(14)17(15)21/h2-3,5-8,11H,4,9-10H2,1H3.
What are the key properties of 18-methoxy-2,6-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),6,8,10,12,16,18-heptaen-14-one?
18-methoxy-2,6-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),6,8,10,12,16,18-heptaen-14-one has a molecular weight of 292.34 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 18-methoxy-2,6-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),6,8,10,12,16,18-heptaen-14-one is sourced from PubChem (CID 21400393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).