7-(4-methoxy-2-methylphenyl)-1,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8-triene

C22H26N2O — CID 23498553

IUPAC7-(4-methoxy-2-methylphenyl)-1,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8-triene
SMILESCOc1ccc(-c2cc3c4c(c2)C2CNCC2CN4CCC3)c(C)c1
InChIInChI=1S/C22H26N2O/c1-14-8-18(25-2)5-6-19(14)16-9-15-4-3-7-24-13-17-11-23-12-21(17)20(10-16)22(15)24/h5-6,8-10,17,21,23H,3-4,7,11-13H2,1-2H3
InChIKeyGTMLFKQDRLKAFH-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.74
Rot. Bonds2

About 7-(4-methoxy-2-methylphenyl)-1,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8-triene

7-(4-methoxy-2-methylphenyl)-1,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8-triene (PubChem CID 23498553) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 7-(4-methoxy-2-methylphenyl)-1,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8-triene.

Molecular Properties

Compound Name7-(4-methoxy-2-methylphenyl)-1,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8-triene
PubChem CID23498553
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name7-(4-methoxy-2-methylphenyl)-1,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8-triene
SMILESCOc1ccc(-c2cc3c4c(c2)C2CNCC2CN4CCC3)c(C)c1
InChIInChI=1S/C22H26N2O/c1-14-8-18(25-2)5-6-19(14)16-9-15-4-3-7-24-13-17-11-23-12-21(17)20(10-16)22(15)24/h5-6,8-10,17,21,23H,3-4,7,11-13H2,1-2H3
InChIKeyGTMLFKQDRLKAFH-UHFFFAOYSA-N
XLogP3.74
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxy-2-methylphenyl)-1,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8-triene?
The IUPAC name of 7-(4-methoxy-2-methylphenyl)-1,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8-triene (CID 23498553) is 7-(4-methoxy-2-methylphenyl)-1,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8-triene.
What is the SMILES notation for 7-(4-methoxy-2-methylphenyl)-1,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8-triene?
The canonical SMILES for 7-(4-methoxy-2-methylphenyl)-1,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8-triene is COc1ccc(-c2cc3c4c(c2)C2CNCC2CN4CCC3)c(C)c1.
What is the InChIKey of 7-(4-methoxy-2-methylphenyl)-1,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8-triene?
The InChIKey is GTMLFKQDRLKAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-14-8-18(25-2)5-6-19(14)16-9-15-4-3-7-24-13-17-11-23-12-21(17)20(10-16)22(15)24/h5-6,8-10,17,21,23H,3-4,7,11-13H2,1-2H3.
What are the key properties of 7-(4-methoxy-2-methylphenyl)-1,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8-triene?
7-(4-methoxy-2-methylphenyl)-1,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8-triene has a molecular weight of 334.46 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxy-2-methylphenyl)-1,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8-triene is sourced from PubChem (CID 23498553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).