7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17),6,8,11,13,15-octaene;hydrochloride

C15H11ClN2 — CID 141145380

IUPAC7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17),6,8,11,13,15-octaene;hydrochloride
SMILESCl.c1cc2cn3ccncc4cccc(c2c1)c43
InChIInChI=1S/C15H10N2.ClH/c1-3-11-9-16-7-8-17-10-12-4-2-5-13(12)14(6-1)15(11)17;/h1-10H;1H
InChIKeyTWONHFNZTQPMEE-UHFFFAOYSA-N
MW254.72 g/mol
LogP4.06
Rot. Bonds

About 7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17),6,8,11,13,15-octaene;hydrochloride

7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17),6,8,11,13,15-octaene;hydrochloride (PubChem CID 141145380) has the molecular formula C15H11ClN2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17),6,8,11,13,15-octaene;hydrochloride.

Molecular Properties

Compound Name7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17),6,8,11,13,15-octaene;hydrochloride
PubChem CID141145380
Molecular FormulaC15H11ClN2
Molecular Weight254.72 g/mol
Exact Mass254.06
IUPAC Name7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17),6,8,11,13,15-octaene;hydrochloride
SMILESCl.c1cc2cn3ccncc4cccc(c2c1)c43
InChIInChI=1S/C15H10N2.ClH/c1-3-11-9-16-7-8-17-10-12-4-2-5-13(12)14(6-1)15(11)17;/h1-10H;1H
InChIKeyTWONHFNZTQPMEE-UHFFFAOYSA-N
XLogP4.06
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17),6,8,11,13,15-octaene;hydrochloride 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 7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17),6,8,11,13,15-octaene;hydrochloride?
The IUPAC name of 7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17),6,8,11,13,15-octaene;hydrochloride (CID 141145380) is 7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17),6,8,11,13,15-octaene;hydrochloride.
What is the SMILES notation for 7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17),6,8,11,13,15-octaene;hydrochloride?
The canonical SMILES for 7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17),6,8,11,13,15-octaene;hydrochloride is Cl.c1cc2cn3ccncc4cccc(c2c1)c43.
What is the InChIKey of 7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17),6,8,11,13,15-octaene;hydrochloride?
The InChIKey is TWONHFNZTQPMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2.ClH/c1-3-11-9-16-7-8-17-10-12-4-2-5-13(12)14(6-1)15(11)17;/h1-10H;1H.
What are the key properties of 7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17),6,8,11,13,15-octaene;hydrochloride?
7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17),6,8,11,13,15-octaene;hydrochloride has a molecular weight of 254.72 g/mol, XLogP of 4.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17),6,8,11,13,15-octaene;hydrochloride is sourced from PubChem (CID 141145380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).