10-(4-methoxy-2-methylphenyl)-2-(4-methoxyphenyl)-11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene;hydrochloride

C25H26ClN3O2 — CID 22178152

IUPAC10-(4-methoxy-2-methylphenyl)-2-(4-methoxyphenyl)-11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene;hydrochloride
SMILESCOc1ccc(-c2c3c(nc4c(-c5ccc(OC)cc5C)c(C)nn24)CCC3)cc1.Cl
InChIInChI=1S/C25H25N3O2.ClH/c1-15-14-19(30-4)12-13-20(15)23-16(2)27-28-24(17-8-10-18(29-3)11-9-17)21-6-5-7-22(21)26-25(23)28;/h8-14H,5-7H2,1-4H3;1H
InChIKeyGDMWBSLPPVWKJQ-UHFFFAOYSA-N
MW435.96 g/mol
LogP5.61
Rot. Bonds4

About 10-(4-methoxy-2-methylphenyl)-2-(4-methoxyphenyl)-11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene;hydrochloride

10-(4-methoxy-2-methylphenyl)-2-(4-methoxyphenyl)-11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene;hydrochloride (PubChem CID 22178152) has the molecular formula C25H26ClN3O2 and a molecular weight of 435.96 g/mol. Its IUPAC name is 10-(4-methoxy-2-methylphenyl)-2-(4-methoxyphenyl)-11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene;hydrochloride.

Molecular Properties

Compound Name10-(4-methoxy-2-methylphenyl)-2-(4-methoxyphenyl)-11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene;hydrochloride
PubChem CID22178152
Molecular FormulaC25H26ClN3O2
Molecular Weight435.96 g/mol
Exact Mass435.17
IUPAC Name10-(4-methoxy-2-methylphenyl)-2-(4-methoxyphenyl)-11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene;hydrochloride
SMILESCOc1ccc(-c2c3c(nc4c(-c5ccc(OC)cc5C)c(C)nn24)CCC3)cc1.Cl
InChIInChI=1S/C25H25N3O2.ClH/c1-15-14-19(30-4)12-13-20(15)23-16(2)27-28-24(17-8-10-18(29-3)11-9-17)21-6-5-7-22(21)26-25(23)28;/h8-14H,5-7H2,1-4H3;1H
InChIKeyGDMWBSLPPVWKJQ-UHFFFAOYSA-N
XLogP5.61
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.96
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 10-(4-methoxy-2-methylphenyl)-2-(4-methoxyphenyl)-11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-(4-methoxy-2-methylphenyl)-2-(4-methoxyphenyl)-11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene;hydrochloride?
The IUPAC name of 10-(4-methoxy-2-methylphenyl)-2-(4-methoxyphenyl)-11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene;hydrochloride (CID 22178152) is 10-(4-methoxy-2-methylphenyl)-2-(4-methoxyphenyl)-11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene;hydrochloride.
What is the SMILES notation for 10-(4-methoxy-2-methylphenyl)-2-(4-methoxyphenyl)-11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene;hydrochloride?
The canonical SMILES for 10-(4-methoxy-2-methylphenyl)-2-(4-methoxyphenyl)-11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene;hydrochloride is COc1ccc(-c2c3c(nc4c(-c5ccc(OC)cc5C)c(C)nn24)CCC3)cc1.Cl.
What is the InChIKey of 10-(4-methoxy-2-methylphenyl)-2-(4-methoxyphenyl)-11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene;hydrochloride?
The InChIKey is GDMWBSLPPVWKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2.ClH/c1-15-14-19(30-4)12-13-20(15)23-16(2)27-28-24(17-8-10-18(29-3)11-9-17)21-6-5-7-22(21)26-25(23)28;/h8-14H,5-7H2,1-4H3;1H.
What are the key properties of 10-(4-methoxy-2-methylphenyl)-2-(4-methoxyphenyl)-11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene;hydrochloride?
10-(4-methoxy-2-methylphenyl)-2-(4-methoxyphenyl)-11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene;hydrochloride has a molecular weight of 435.96 g/mol, XLogP of 5.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-methoxy-2-methylphenyl)-2-(4-methoxyphenyl)-11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene;hydrochloride is sourced from PubChem (CID 22178152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).