10-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2,6,11,14(18),15-hexaen-5-one

C17H15NO — CID 125493160

IUPAC10-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2,6,11,14(18),15-hexaen-5-one
SMILESO=C1C=C2CCN3C=CCc4cccc(c43)C2=CC1
InChIInChI=1S/C17H15NO/c19-14-6-7-15-13(11-14)8-10-18-9-2-4-12-3-1-5-16(15)17(12)18/h1-3,5,7,9,11H,4,6,8,10H2
InChIKeySCRVRCKATYFMBK-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.25
Rot. Bonds

About 10-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2,6,11,14(18),15-hexaen-5-one

10-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2,6,11,14(18),15-hexaen-5-one (PubChem CID 125493160) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is 10-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2,6,11,14(18),15-hexaen-5-one.

Molecular Properties

Compound Name10-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2,6,11,14(18),15-hexaen-5-one
PubChem CID125493160
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name10-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2,6,11,14(18),15-hexaen-5-one
SMILESO=C1C=C2CCN3C=CCc4cccc(c43)C2=CC1
InChIInChI=1S/C17H15NO/c19-14-6-7-15-13(11-14)8-10-18-9-2-4-12-3-1-5-16(15)17(12)18/h1-3,5,7,9,11H,4,6,8,10H2
InChIKeySCRVRCKATYFMBK-UHFFFAOYSA-N
XLogP3.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 10-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2,6,11,14(18),15-hexaen-5-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 10-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2,6,11,14(18),15-hexaen-5-one?
The IUPAC name of 10-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2,6,11,14(18),15-hexaen-5-one (CID 125493160) is 10-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2,6,11,14(18),15-hexaen-5-one.
What is the SMILES notation for 10-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2,6,11,14(18),15-hexaen-5-one?
The canonical SMILES for 10-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2,6,11,14(18),15-hexaen-5-one is O=C1C=C2CCN3C=CCc4cccc(c43)C2=CC1.
What is the InChIKey of 10-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2,6,11,14(18),15-hexaen-5-one?
The InChIKey is SCRVRCKATYFMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c19-14-6-7-15-13(11-14)8-10-18-9-2-4-12-3-1-5-16(15)17(12)18/h1-3,5,7,9,11H,4,6,8,10H2.
What are the key properties of 10-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2,6,11,14(18),15-hexaen-5-one?
10-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2,6,11,14(18),15-hexaen-5-one has a molecular weight of 249.31 g/mol, XLogP of 3.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2,6,11,14(18),15-hexaen-5-one is sourced from PubChem (CID 125493160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).