8-oxa-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11-hexaen-14-one

C15H11NO2 — CID 69049560

IUPAC8-oxa-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11-hexaen-14-one
SMILESO=C1NCC2=C3C(=CC=CC13)Oc1ccccc12
InChIInChI=1S/C15H11NO2/c17-15-10-5-3-7-13-14(10)11(8-16-15)9-4-1-2-6-12(9)18-13/h1-7,10H,8H2,(H,16,17)
InChIKeyKDFWVHFKZKCAPW-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.03
Rot. Bonds

About 8-oxa-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11-hexaen-14-one

8-oxa-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11-hexaen-14-one (PubChem CID 69049560) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 8-oxa-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11-hexaen-14-one.

Molecular Properties

Compound Name8-oxa-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11-hexaen-14-one
PubChem CID69049560
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Name8-oxa-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11-hexaen-14-one
SMILESO=C1NCC2=C3C(=CC=CC13)Oc1ccccc12
InChIInChI=1S/C15H11NO2/c17-15-10-5-3-7-13-14(10)11(8-16-15)9-4-1-2-6-12(9)18-13/h1-7,10H,8H2,(H,16,17)
InChIKeyKDFWVHFKZKCAPW-UHFFFAOYSA-N
XLogP2.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-oxa-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11-hexaen-14-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-oxa-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11-hexaen-14-one?
The IUPAC name of 8-oxa-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11-hexaen-14-one (CID 69049560) is 8-oxa-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11-hexaen-14-one.
What is the SMILES notation for 8-oxa-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11-hexaen-14-one?
The canonical SMILES for 8-oxa-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11-hexaen-14-one is O=C1NCC2=C3C(=CC=CC13)Oc1ccccc12.
What is the InChIKey of 8-oxa-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11-hexaen-14-one?
The InChIKey is KDFWVHFKZKCAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2/c17-15-10-5-3-7-13-14(10)11(8-16-15)9-4-1-2-6-12(9)18-13/h1-7,10H,8H2,(H,16,17).
What are the key properties of 8-oxa-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11-hexaen-14-one?
8-oxa-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11-hexaen-14-one has a molecular weight of 237.26 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxa-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11-hexaen-14-one is sourced from PubChem (CID 69049560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).