10-hydroxy-6-methoxy-2-(4-methoxyphenyl)-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-3(8),6,11,13,15-pentaene-4,17-dione

C22H19N3O5 — CID 135472046

IUPAC10-hydroxy-6-methoxy-2-(4-methoxyphenyl)-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-3(8),6,11,13,15-pentaene-4,17-dione
SMILESCOc1ccc(C2c3c(nc(OC)[nH]c3=O)NC3(O)c4ccccc4C(=O)C23)cc1
InChIInChI=1S/C22H19N3O5/c1-29-12-9-7-11(8-10-12)15-16-19(23-21(30-2)24-20(16)27)25-22(28)14-6-4-3-5-13(14)18(26)17(15)22/h3-10,15,17,28H,1-2H3,(H2,23,24,25,27)
InChIKeyDCDHZROAZASSDW-UHFFFAOYSA-N
MW405.41 g/mol
LogP2.00
Rot. Bonds3

About 10-hydroxy-6-methoxy-2-(4-methoxyphenyl)-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-3(8),6,11,13,15-pentaene-4,17-dione

10-hydroxy-6-methoxy-2-(4-methoxyphenyl)-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-3(8),6,11,13,15-pentaene-4,17-dione (PubChem CID 135472046) has the molecular formula C22H19N3O5 and a molecular weight of 405.41 g/mol. Its IUPAC name is 10-hydroxy-6-methoxy-2-(4-methoxyphenyl)-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-3(8),6,11,13,15-pentaene-4,17-dione.

Molecular Properties

Compound Name10-hydroxy-6-methoxy-2-(4-methoxyphenyl)-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-3(8),6,11,13,15-pentaene-4,17-dione
PubChem CID135472046
Molecular FormulaC22H19N3O5
Molecular Weight405.41 g/mol
Exact Mass405.13
IUPAC Name10-hydroxy-6-methoxy-2-(4-methoxyphenyl)-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-3(8),6,11,13,15-pentaene-4,17-dione
SMILESCOc1ccc(C2c3c(nc(OC)[nH]c3=O)NC3(O)c4ccccc4C(=O)C23)cc1
InChIInChI=1S/C22H19N3O5/c1-29-12-9-7-11(8-10-12)15-16-19(23-21(30-2)24-20(16)27)25-22(28)14-6-4-3-5-13(14)18(26)17(15)22/h3-10,15,17,28H,1-2H3,(H2,23,24,25,27)
InChIKeyDCDHZROAZASSDW-UHFFFAOYSA-N
XLogP2.00
TPSA113.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 10-hydroxy-6-methoxy-2-(4-methoxyphenyl)-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-3(8),6,11,13,15-pentaene-4,17-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 10-hydroxy-6-methoxy-2-(4-methoxyphenyl)-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-3(8),6,11,13,15-pentaene-4,17-dione?
The IUPAC name of 10-hydroxy-6-methoxy-2-(4-methoxyphenyl)-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-3(8),6,11,13,15-pentaene-4,17-dione (CID 135472046) is 10-hydroxy-6-methoxy-2-(4-methoxyphenyl)-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-3(8),6,11,13,15-pentaene-4,17-dione.
What is the SMILES notation for 10-hydroxy-6-methoxy-2-(4-methoxyphenyl)-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-3(8),6,11,13,15-pentaene-4,17-dione?
The canonical SMILES for 10-hydroxy-6-methoxy-2-(4-methoxyphenyl)-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-3(8),6,11,13,15-pentaene-4,17-dione is COc1ccc(C2c3c(nc(OC)[nH]c3=O)NC3(O)c4ccccc4C(=O)C23)cc1.
What is the InChIKey of 10-hydroxy-6-methoxy-2-(4-methoxyphenyl)-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-3(8),6,11,13,15-pentaene-4,17-dione?
The InChIKey is DCDHZROAZASSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O5/c1-29-12-9-7-11(8-10-12)15-16-19(23-21(30-2)24-20(16)27)25-22(28)14-6-4-3-5-13(14)18(26)17(15)22/h3-10,15,17,28H,1-2H3,(H2,23,24,25,27).
What are the key properties of 10-hydroxy-6-methoxy-2-(4-methoxyphenyl)-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-3(8),6,11,13,15-pentaene-4,17-dione?
10-hydroxy-6-methoxy-2-(4-methoxyphenyl)-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-3(8),6,11,13,15-pentaene-4,17-dione has a molecular weight of 405.41 g/mol, XLogP of 2.00, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxy-6-methoxy-2-(4-methoxyphenyl)-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-3(8),6,11,13,15-pentaene-4,17-dione is sourced from PubChem (CID 135472046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).