15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),3,5,9,11,13-hexaene

C16H15N — CID 57069115

IUPAC15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),3,5,9,11,13-hexaene
SMILESC1=CC2Cc3cccc4c3=C(CNC=4)C2C=C1
InChIInChI=1S/C16H15N/c1-2-7-14-11(4-1)8-12-5-3-6-13-9-17-10-15(14)16(12)13/h1-7,9,11,14,17H,8,10H2
InChIKeyHGSVEDVQFOHDFV-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.09
Rot. Bonds

About 15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),3,5,9,11,13-hexaene

15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),3,5,9,11,13-hexaene (PubChem CID 57069115) has the molecular formula C16H15N and a molecular weight of 221.30 g/mol. Its IUPAC name is 15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),3,5,9,11,13-hexaene.

Molecular Properties

Compound Name15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),3,5,9,11,13-hexaene
PubChem CID57069115
Molecular FormulaC16H15N
Molecular Weight221.30 g/mol
Exact Mass221.12
IUPAC Name15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),3,5,9,11,13-hexaene
SMILESC1=CC2Cc3cccc4c3=C(CNC=4)C2C=C1
InChIInChI=1S/C16H15N/c1-2-7-14-11(4-1)8-12-5-3-6-13-9-17-10-15(14)16(12)13/h1-7,9,11,14,17H,8,10H2
InChIKeyHGSVEDVQFOHDFV-UHFFFAOYSA-N
XLogP1.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),3,5,9,11,13-hexaene 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 15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),3,5,9,11,13-hexaene?
The IUPAC name of 15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),3,5,9,11,13-hexaene (CID 57069115) is 15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),3,5,9,11,13-hexaene.
What is the SMILES notation for 15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),3,5,9,11,13-hexaene?
The canonical SMILES for 15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),3,5,9,11,13-hexaene is C1=CC2Cc3cccc4c3=C(CNC=4)C2C=C1.
What is the InChIKey of 15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),3,5,9,11,13-hexaene?
The InChIKey is HGSVEDVQFOHDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N/c1-2-7-14-11(4-1)8-12-5-3-6-13-9-17-10-15(14)16(12)13/h1-7,9,11,14,17H,8,10H2.
What are the key properties of 15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),3,5,9,11,13-hexaene?
15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),3,5,9,11,13-hexaene has a molecular weight of 221.30 g/mol, XLogP of 1.09, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),3,5,9,11,13-hexaene is sourced from PubChem (CID 57069115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).