2,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,8,10,12,14,16-octaen-13-ol

C16H12N2O — CID 70598295

IUPAC2,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,8,10,12,14,16-octaen-13-ol
SMILESOC1=C2C=CC=CC2c2nccn2-c2ccccc21
InChIInChI=1S/C16H12N2O/c19-15-11-5-1-2-6-12(11)16-17-9-10-18(16)14-8-4-3-7-13(14)15/h1-10,12,19H
InChIKeyFSINPUFKLYOLDQ-UHFFFAOYSA-N
MW248.29 g/mol
LogP3.36
Rot. Bonds

About 2,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,8,10,12,14,16-octaen-13-ol

2,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,8,10,12,14,16-octaen-13-ol (PubChem CID 70598295) has the molecular formula C16H12N2O and a molecular weight of 248.29 g/mol. Its IUPAC name is 2,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,8,10,12,14,16-octaen-13-ol.

Molecular Properties

Compound Name2,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,8,10,12,14,16-octaen-13-ol
PubChem CID70598295
Molecular FormulaC16H12N2O
Molecular Weight248.29 g/mol
Exact Mass248.09
IUPAC Name2,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,8,10,12,14,16-octaen-13-ol
SMILESOC1=C2C=CC=CC2c2nccn2-c2ccccc21
InChIInChI=1S/C16H12N2O/c19-15-11-5-1-2-6-12(11)16-17-9-10-18(16)14-8-4-3-7-13(14)15/h1-10,12,19H
InChIKeyFSINPUFKLYOLDQ-UHFFFAOYSA-N
XLogP3.36
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,8,10,12,14,16-octaen-13-ol?
The IUPAC name of 2,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,8,10,12,14,16-octaen-13-ol (CID 70598295) is 2,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,8,10,12,14,16-octaen-13-ol.
What is the SMILES notation for 2,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,8,10,12,14,16-octaen-13-ol?
The canonical SMILES for 2,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,8,10,12,14,16-octaen-13-ol is OC1=C2C=CC=CC2c2nccn2-c2ccccc21.
What is the InChIKey of 2,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,8,10,12,14,16-octaen-13-ol?
The InChIKey is FSINPUFKLYOLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O/c19-15-11-5-1-2-6-12(11)16-17-9-10-18(16)14-8-4-3-7-13(14)15/h1-10,12,19H.
What are the key properties of 2,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,8,10,12,14,16-octaen-13-ol?
2,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,8,10,12,14,16-octaen-13-ol has a molecular weight of 248.29 g/mol, XLogP of 3.36, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,8,10,12,14,16-octaen-13-ol is sourced from PubChem (CID 70598295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).