17-azatetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaen-1-ol

C16H15NO — CID 12552296

IUPAC17-azatetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaen-1-ol
SMILESOC12NC(Cc3ccccc31)Cc1ccccc12
InChIInChI=1S/C16H15NO/c18-16-14-7-3-1-5-11(14)9-13(17-16)10-12-6-2-4-8-15(12)16/h1-8,13,17-18H,9-10H2
InChIKeyNIGZWJTYZFTTPX-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.95
Rot. Bonds

About 17-azatetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaen-1-ol

17-azatetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaen-1-ol (PubChem CID 12552296) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 17-azatetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaen-1-ol.

Molecular Properties

Compound Name17-azatetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaen-1-ol
PubChem CID12552296
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name17-azatetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaen-1-ol
SMILESOC12NC(Cc3ccccc31)Cc1ccccc12
InChIInChI=1S/C16H15NO/c18-16-14-7-3-1-5-11(14)9-13(17-16)10-12-6-2-4-8-15(12)16/h1-8,13,17-18H,9-10H2
InChIKeyNIGZWJTYZFTTPX-UHFFFAOYSA-N
XLogP1.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 17-azatetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaen-1-ol 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 17-azatetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaen-1-ol?
The IUPAC name of 17-azatetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaen-1-ol (CID 12552296) is 17-azatetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaen-1-ol.
What is the SMILES notation for 17-azatetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaen-1-ol?
The canonical SMILES for 17-azatetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaen-1-ol is OC12NC(Cc3ccccc31)Cc1ccccc12.
What is the InChIKey of 17-azatetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaen-1-ol?
The InChIKey is NIGZWJTYZFTTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c18-16-14-7-3-1-5-11(14)9-13(17-16)10-12-6-2-4-8-15(12)16/h1-8,13,17-18H,9-10H2.
What are the key properties of 17-azatetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaen-1-ol?
17-azatetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaen-1-ol has a molecular weight of 237.30 g/mol, XLogP of 1.95, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 17-azatetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaen-1-ol is sourced from PubChem (CID 12552296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).