5,6-dimethoxy-11,15-diazatetracyclo[9.7.0.03,8.013,18]octadeca-1,3,5,7,13(18),14,16-heptaen-12-one

C18H16N2O3 — CID 10990481

IUPAC5,6-dimethoxy-11,15-diazatetracyclo[9.7.0.03,8.013,18]octadeca-1,3,5,7,13(18),14,16-heptaen-12-one
SMILESCOc1cc2c(cc1OC)CCN1C(=O)c3cnccc3C1=C2
InChIInChI=1S/C18H16N2O3/c1-22-16-8-11-4-6-20-15(7-12(11)9-17(16)23-2)13-3-5-19-10-14(13)18(20)21/h3,5,7-10H,4,6H2,1-2H3
InChIKeyWPGRWTSFAAMEFM-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.61
Rot. Bonds2

About 5,6-dimethoxy-11,15-diazatetracyclo[9.7.0.03,8.013,18]octadeca-1,3,5,7,13(18),14,16-heptaen-12-one

5,6-dimethoxy-11,15-diazatetracyclo[9.7.0.03,8.013,18]octadeca-1,3,5,7,13(18),14,16-heptaen-12-one (PubChem CID 10990481) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 5,6-dimethoxy-11,15-diazatetracyclo[9.7.0.03,8.013,18]octadeca-1,3,5,7,13(18),14,16-heptaen-12-one.

Molecular Properties

Compound Name5,6-dimethoxy-11,15-diazatetracyclo[9.7.0.03,8.013,18]octadeca-1,3,5,7,13(18),14,16-heptaen-12-one
PubChem CID10990481
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name5,6-dimethoxy-11,15-diazatetracyclo[9.7.0.03,8.013,18]octadeca-1,3,5,7,13(18),14,16-heptaen-12-one
SMILESCOc1cc2c(cc1OC)CCN1C(=O)c3cnccc3C1=C2
InChIInChI=1S/C18H16N2O3/c1-22-16-8-11-4-6-20-15(7-12(11)9-17(16)23-2)13-3-5-19-10-14(13)18(20)21/h3,5,7-10H,4,6H2,1-2H3
InChIKeyWPGRWTSFAAMEFM-UHFFFAOYSA-N
XLogP2.61
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5,6-dimethoxy-11,15-diazatetracyclo[9.7.0.03,8.013,18]octadeca-1,3,5,7,13(18),14,16-heptaen-12-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-11,15-diazatetracyclo[9.7.0.03,8.013,18]octadeca-1,3,5,7,13(18),14,16-heptaen-12-one?
The IUPAC name of 5,6-dimethoxy-11,15-diazatetracyclo[9.7.0.03,8.013,18]octadeca-1,3,5,7,13(18),14,16-heptaen-12-one (CID 10990481) is 5,6-dimethoxy-11,15-diazatetracyclo[9.7.0.03,8.013,18]octadeca-1,3,5,7,13(18),14,16-heptaen-12-one.
What is the SMILES notation for 5,6-dimethoxy-11,15-diazatetracyclo[9.7.0.03,8.013,18]octadeca-1,3,5,7,13(18),14,16-heptaen-12-one?
The canonical SMILES for 5,6-dimethoxy-11,15-diazatetracyclo[9.7.0.03,8.013,18]octadeca-1,3,5,7,13(18),14,16-heptaen-12-one is COc1cc2c(cc1OC)CCN1C(=O)c3cnccc3C1=C2.
What is the InChIKey of 5,6-dimethoxy-11,15-diazatetracyclo[9.7.0.03,8.013,18]octadeca-1,3,5,7,13(18),14,16-heptaen-12-one?
The InChIKey is WPGRWTSFAAMEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-22-16-8-11-4-6-20-15(7-12(11)9-17(16)23-2)13-3-5-19-10-14(13)18(20)21/h3,5,7-10H,4,6H2,1-2H3.
What are the key properties of 5,6-dimethoxy-11,15-diazatetracyclo[9.7.0.03,8.013,18]octadeca-1,3,5,7,13(18),14,16-heptaen-12-one?
5,6-dimethoxy-11,15-diazatetracyclo[9.7.0.03,8.013,18]octadeca-1,3,5,7,13(18),14,16-heptaen-12-one has a molecular weight of 308.34 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-11,15-diazatetracyclo[9.7.0.03,8.013,18]octadeca-1,3,5,7,13(18),14,16-heptaen-12-one is sourced from PubChem (CID 10990481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).