1-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-16-yl)ethanone

C17H15NO — CID 3039376

IUPAC1-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-16-yl)ethanone
SMILESCC(=O)N1C2Cc3ccccc3C1c1ccccc12
InChIInChI=1S/C17H15NO/c1-11(19)18-16-10-12-6-2-3-7-13(12)17(18)15-9-5-4-8-14(15)16/h2-9,16-17H,10H2,1H3
InChIKeyRGETZHQIKNBCSQ-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.24
Rot. Bonds

About 1-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-16-yl)ethanone

1-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-16-yl)ethanone (PubChem CID 3039376) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-16-yl)ethanone.

Molecular Properties

Compound Name1-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-16-yl)ethanone
PubChem CID3039376
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name1-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-16-yl)ethanone
SMILESCC(=O)N1C2Cc3ccccc3C1c1ccccc12
InChIInChI=1S/C17H15NO/c1-11(19)18-16-10-12-6-2-3-7-13(12)17(18)15-9-5-4-8-14(15)16/h2-9,16-17H,10H2,1H3
InChIKeyRGETZHQIKNBCSQ-UHFFFAOYSA-N
XLogP3.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-16-yl)ethanone 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 1-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-16-yl)ethanone?
The IUPAC name of 1-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-16-yl)ethanone (CID 3039376) is 1-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-16-yl)ethanone.
What is the SMILES notation for 1-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-16-yl)ethanone?
The canonical SMILES for 1-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-16-yl)ethanone is CC(=O)N1C2Cc3ccccc3C1c1ccccc12.
What is the InChIKey of 1-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-16-yl)ethanone?
The InChIKey is RGETZHQIKNBCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c1-11(19)18-16-10-12-6-2-3-7-13(12)17(18)15-9-5-4-8-14(15)16/h2-9,16-17H,10H2,1H3.
What are the key properties of 1-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-16-yl)ethanone?
1-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-16-yl)ethanone has a molecular weight of 249.31 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-16-yl)ethanone is sourced from PubChem (CID 3039376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).