11-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one

C25H22N4O4 — CID 25252305

IUPAC11-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
SMILESCOc1ccc(-c2c(C)nn3c2ncc2c(=O)n(-c4ccc(OC)cc4OC)ccc23)cc1
InChIInChI=1S/C25H22N4O4/c1-15-23(16-5-7-17(31-2)8-6-16)24-26-14-19-20(29(24)27-15)11-12-28(25(19)30)21-10-9-18(32-3)13-22(21)33-4/h5-14H,1-4H3
InChIKeyQVRIEXFHUSMTAH-UHFFFAOYSA-N
MW442.48 g/mol
LogP4.03
Rot. Bonds5

About 11-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one

11-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one (PubChem CID 25252305) has the molecular formula C25H22N4O4 and a molecular weight of 442.48 g/mol. Its IUPAC name is 11-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one.

Molecular Properties

Compound Name11-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
PubChem CID25252305
Molecular FormulaC25H22N4O4
Molecular Weight442.48 g/mol
Exact Mass442.16
IUPAC Name11-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
SMILESCOc1ccc(-c2c(C)nn3c2ncc2c(=O)n(-c4ccc(OC)cc4OC)ccc23)cc1
InChIInChI=1S/C25H22N4O4/c1-15-23(16-5-7-17(31-2)8-6-16)24-26-14-19-20(29(24)27-15)11-12-28(25(19)30)21-10-9-18(32-3)13-22(21)33-4/h5-14H,1-4H3
InChIKeyQVRIEXFHUSMTAH-UHFFFAOYSA-N
XLogP4.03
TPSA79.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 11-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The IUPAC name of 11-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one (CID 25252305) is 11-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one.
What is the SMILES notation for 11-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The canonical SMILES for 11-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one is COc1ccc(-c2c(C)nn3c2ncc2c(=O)n(-c4ccc(OC)cc4OC)ccc23)cc1.
What is the InChIKey of 11-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The InChIKey is QVRIEXFHUSMTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O4/c1-15-23(16-5-7-17(31-2)8-6-16)24-26-14-19-20(29(24)27-15)11-12-28(25(19)30)21-10-9-18(32-3)13-22(21)33-4/h5-14H,1-4H3.
What are the key properties of 11-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
11-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one has a molecular weight of 442.48 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one is sourced from PubChem (CID 25252305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).