12,14-dimethyl-9-(2,4,5-trimethoxyphenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione

C24H24N4O5 — CID 23614104

IUPAC12,14-dimethyl-9-(2,4,5-trimethoxyphenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione
SMILESCOc1cc(OC)c(C2Nc3ccccc3-n3cc4c(=O)n(C)c(=O)n(C)c4c32)cc1OC
InChIInChI=1S/C24H24N4O5/c1-26-21-14(23(29)27(2)24(26)30)12-28-16-9-7-6-8-15(16)25-20(22(21)28)13-10-18(32-4)19(33-5)11-17(13)31-3/h6-12,20,25H,1-5H3
InChIKeyNRHDLNZJSUMJNH-UHFFFAOYSA-N
MW448.48 g/mol
LogP2.57
Rot. Bonds4

About 12,14-dimethyl-9-(2,4,5-trimethoxyphenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione

12,14-dimethyl-9-(2,4,5-trimethoxyphenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione (PubChem CID 23614104) has the molecular formula C24H24N4O5 and a molecular weight of 448.48 g/mol. Its IUPAC name is 12,14-dimethyl-9-(2,4,5-trimethoxyphenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione.

Molecular Properties

Compound Name12,14-dimethyl-9-(2,4,5-trimethoxyphenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione
PubChem CID23614104
Molecular FormulaC24H24N4O5
Molecular Weight448.48 g/mol
Exact Mass448.17
IUPAC Name12,14-dimethyl-9-(2,4,5-trimethoxyphenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione
SMILESCOc1cc(OC)c(C2Nc3ccccc3-n3cc4c(=O)n(C)c(=O)n(C)c4c32)cc1OC
InChIInChI=1S/C24H24N4O5/c1-26-21-14(23(29)27(2)24(26)30)12-28-16-9-7-6-8-15(16)25-20(22(21)28)13-10-18(32-4)19(33-5)11-17(13)31-3/h6-12,20,25H,1-5H3
InChIKeyNRHDLNZJSUMJNH-UHFFFAOYSA-N
XLogP2.57
TPSA88.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 12,14-dimethyl-9-(2,4,5-trimethoxyphenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione 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 12,14-dimethyl-9-(2,4,5-trimethoxyphenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione?
The IUPAC name of 12,14-dimethyl-9-(2,4,5-trimethoxyphenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione (CID 23614104) is 12,14-dimethyl-9-(2,4,5-trimethoxyphenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione.
What is the SMILES notation for 12,14-dimethyl-9-(2,4,5-trimethoxyphenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione?
The canonical SMILES for 12,14-dimethyl-9-(2,4,5-trimethoxyphenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione is COc1cc(OC)c(C2Nc3ccccc3-n3cc4c(=O)n(C)c(=O)n(C)c4c32)cc1OC.
What is the InChIKey of 12,14-dimethyl-9-(2,4,5-trimethoxyphenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione?
The InChIKey is NRHDLNZJSUMJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O5/c1-26-21-14(23(29)27(2)24(26)30)12-28-16-9-7-6-8-15(16)25-20(22(21)28)13-10-18(32-4)19(33-5)11-17(13)31-3/h6-12,20,25H,1-5H3.
What are the key properties of 12,14-dimethyl-9-(2,4,5-trimethoxyphenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione?
12,14-dimethyl-9-(2,4,5-trimethoxyphenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione has a molecular weight of 448.48 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 12,14-dimethyl-9-(2,4,5-trimethoxyphenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione is sourced from PubChem (CID 23614104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).