3-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaen-1-ol

C15H13NO — CID 3151294

IUPAC3-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaen-1-ol
SMILESOC12CC(Cc3cccnc31)c1ccccc12
InChIInChI=1S/C15H13NO/c17-15-9-11(12-5-1-2-6-13(12)15)8-10-4-3-7-16-14(10)15/h1-7,11,17H,8-9H2
InChIKeyWGJLOFZRPBOHNV-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.36
Rot. Bonds

About 3-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaen-1-ol

3-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaen-1-ol (PubChem CID 3151294) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaen-1-ol.

Molecular Properties

Compound Name3-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaen-1-ol
PubChem CID3151294
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Name3-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaen-1-ol
SMILESOC12CC(Cc3cccnc31)c1ccccc12
InChIInChI=1S/C15H13NO/c17-15-9-11(12-5-1-2-6-13(12)15)8-10-4-3-7-16-14(10)15/h1-7,11,17H,8-9H2
InChIKeyWGJLOFZRPBOHNV-UHFFFAOYSA-N
XLogP2.36
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaen-1-ol?
The IUPAC name of 3-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaen-1-ol (CID 3151294) is 3-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaen-1-ol.
What is the SMILES notation for 3-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaen-1-ol?
The canonical SMILES for 3-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaen-1-ol is OC12CC(Cc3cccnc31)c1ccccc12.
What is the InChIKey of 3-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaen-1-ol?
The InChIKey is WGJLOFZRPBOHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c17-15-9-11(12-5-1-2-6-13(12)15)8-10-4-3-7-16-14(10)15/h1-7,11,17H,8-9H2.
What are the key properties of 3-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaen-1-ol?
3-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaen-1-ol has a molecular weight of 223.28 g/mol, XLogP of 2.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaen-1-ol is sourced from PubChem (CID 3151294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).