15,16-dimethoxy-10-azatetracyclo[7.7.1.02,8.013,17]heptadeca-1(17),2(8),3,6,9,11,13,15-octaen-5-one

C18H13NO3 — CID 10469514

IUPAC15,16-dimethoxy-10-azatetracyclo[7.7.1.02,8.013,17]heptadeca-1(17),2(8),3,6,9,11,13,15-octaen-5-one
SMILESCOc1cc2ccnc3c2c(c1OC)-c1ccc(=O)ccc1-3
InChIInChI=1S/C18H13NO3/c1-21-14-9-10-7-8-19-17-13-6-4-11(20)3-5-12(13)16(15(10)17)18(14)22-2/h3-9H,1-2H3
InChIKeyKWTAOJVETXMPDJ-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.26
Rot. Bonds2

About 15,16-dimethoxy-10-azatetracyclo[7.7.1.02,8.013,17]heptadeca-1(17),2(8),3,6,9,11,13,15-octaen-5-one

15,16-dimethoxy-10-azatetracyclo[7.7.1.02,8.013,17]heptadeca-1(17),2(8),3,6,9,11,13,15-octaen-5-one (PubChem CID 10469514) has the molecular formula C18H13NO3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 15,16-dimethoxy-10-azatetracyclo[7.7.1.02,8.013,17]heptadeca-1(17),2(8),3,6,9,11,13,15-octaen-5-one.

Molecular Properties

Compound Name15,16-dimethoxy-10-azatetracyclo[7.7.1.02,8.013,17]heptadeca-1(17),2(8),3,6,9,11,13,15-octaen-5-one
PubChem CID10469514
Molecular FormulaC18H13NO3
Molecular Weight291.31 g/mol
Exact Mass291.09
IUPAC Name15,16-dimethoxy-10-azatetracyclo[7.7.1.02,8.013,17]heptadeca-1(17),2(8),3,6,9,11,13,15-octaen-5-one
SMILESCOc1cc2ccnc3c2c(c1OC)-c1ccc(=O)ccc1-3
InChIInChI=1S/C18H13NO3/c1-21-14-9-10-7-8-19-17-13-6-4-11(20)3-5-12(13)16(15(10)17)18(14)22-2/h3-9H,1-2H3
InChIKeyKWTAOJVETXMPDJ-UHFFFAOYSA-N
XLogP3.26
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 15,16-dimethoxy-10-azatetracyclo[7.7.1.02,8.013,17]heptadeca-1(17),2(8),3,6,9,11,13,15-octaen-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15,16-dimethoxy-10-azatetracyclo[7.7.1.02,8.013,17]heptadeca-1(17),2(8),3,6,9,11,13,15-octaen-5-one?
The IUPAC name of 15,16-dimethoxy-10-azatetracyclo[7.7.1.02,8.013,17]heptadeca-1(17),2(8),3,6,9,11,13,15-octaen-5-one (CID 10469514) is 15,16-dimethoxy-10-azatetracyclo[7.7.1.02,8.013,17]heptadeca-1(17),2(8),3,6,9,11,13,15-octaen-5-one.
What is the SMILES notation for 15,16-dimethoxy-10-azatetracyclo[7.7.1.02,8.013,17]heptadeca-1(17),2(8),3,6,9,11,13,15-octaen-5-one?
The canonical SMILES for 15,16-dimethoxy-10-azatetracyclo[7.7.1.02,8.013,17]heptadeca-1(17),2(8),3,6,9,11,13,15-octaen-5-one is COc1cc2ccnc3c2c(c1OC)-c1ccc(=O)ccc1-3.
What is the InChIKey of 15,16-dimethoxy-10-azatetracyclo[7.7.1.02,8.013,17]heptadeca-1(17),2(8),3,6,9,11,13,15-octaen-5-one?
The InChIKey is KWTAOJVETXMPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO3/c1-21-14-9-10-7-8-19-17-13-6-4-11(20)3-5-12(13)16(15(10)17)18(14)22-2/h3-9H,1-2H3.
What are the key properties of 15,16-dimethoxy-10-azatetracyclo[7.7.1.02,8.013,17]heptadeca-1(17),2(8),3,6,9,11,13,15-octaen-5-one?
15,16-dimethoxy-10-azatetracyclo[7.7.1.02,8.013,17]heptadeca-1(17),2(8),3,6,9,11,13,15-octaen-5-one has a molecular weight of 291.31 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15,16-dimethoxy-10-azatetracyclo[7.7.1.02,8.013,17]heptadeca-1(17),2(8),3,6,9,11,13,15-octaen-5-one is sourced from PubChem (CID 10469514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).