3-phenyl-7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-triene;hydrochloride

C21H25ClN2 — CID 10308809

IUPAC3-phenyl-7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-triene;hydrochloride
SMILESCl.c1ccc(-c2cc3c4c(c2)C2CCCC2CN4CCNC3)cc1
InChIInChI=1S/C21H24N2.ClH/c1-2-5-15(6-3-1)17-11-18-13-22-9-10-23-14-16-7-4-8-19(16)20(12-17)21(18)23;/h1-3,5-6,11-12,16,19,22H,4,7-10,13-14H2;1H
InChIKeyMYQAQMBKOMZQCG-UHFFFAOYSA-N
MW340.90 g/mol
LogP4.58
Rot. Bonds1

About 3-phenyl-7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-triene;hydrochloride

3-phenyl-7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-triene;hydrochloride (PubChem CID 10308809) has the molecular formula C21H25ClN2 and a molecular weight of 340.90 g/mol. Its IUPAC name is 3-phenyl-7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-triene;hydrochloride.

Molecular Properties

Compound Name3-phenyl-7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-triene;hydrochloride
PubChem CID10308809
Molecular FormulaC21H25ClN2
Molecular Weight340.90 g/mol
Exact Mass340.17
IUPAC Name3-phenyl-7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-triene;hydrochloride
SMILESCl.c1ccc(-c2cc3c4c(c2)C2CCCC2CN4CCNC3)cc1
InChIInChI=1S/C21H24N2.ClH/c1-2-5-15(6-3-1)17-11-18-13-22-9-10-23-14-16-7-4-8-19(16)20(12-17)21(18)23;/h1-3,5-6,11-12,16,19,22H,4,7-10,13-14H2;1H
InChIKeyMYQAQMBKOMZQCG-UHFFFAOYSA-N
XLogP4.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.90
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-phenyl-7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-triene;hydrochloride with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-triene;hydrochloride?
The IUPAC name of 3-phenyl-7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-triene;hydrochloride (CID 10308809) is 3-phenyl-7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-triene;hydrochloride.
What is the SMILES notation for 3-phenyl-7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-triene;hydrochloride?
The canonical SMILES for 3-phenyl-7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-triene;hydrochloride is Cl.c1ccc(-c2cc3c4c(c2)C2CCCC2CN4CCNC3)cc1.
What is the InChIKey of 3-phenyl-7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-triene;hydrochloride?
The InChIKey is MYQAQMBKOMZQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2.ClH/c1-2-5-15(6-3-1)17-11-18-13-22-9-10-23-14-16-7-4-8-19(16)20(12-17)21(18)23;/h1-3,5-6,11-12,16,19,22H,4,7-10,13-14H2;1H.
What are the key properties of 3-phenyl-7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-triene;hydrochloride?
3-phenyl-7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-triene;hydrochloride has a molecular weight of 340.90 g/mol, XLogP of 4.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-triene;hydrochloride is sourced from PubChem (CID 10308809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).