2-(4-hydroxyphenyl)-7-methyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione

C21H15N3O4 — CID 2893535

IUPAC2-(4-hydroxyphenyl)-7-methyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione
SMILESCn1c2c(c(=O)[nH]c1=O)C(c1ccc(O)cc1)C1=C(N2)c2ccccc2C1=O
InChIInChI=1S/C21H15N3O4/c1-24-19-16(20(27)23-21(24)28)14(10-6-8-11(25)9-7-10)15-17(22-19)12-4-2-3-5-13(12)18(15)26/h2-9,14,22,25H,1H3,(H,23,27,28)
InChIKeyWMMNWMKJPGFUDL-UHFFFAOYSA-N
MW373.37 g/mol
LogP1.94
Rot. Bonds1

About 2-(4-hydroxyphenyl)-7-methyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione

2-(4-hydroxyphenyl)-7-methyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione (PubChem CID 2893535) has the molecular formula C21H15N3O4 and a molecular weight of 373.37 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-7-methyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-7-methyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione
PubChem CID2893535
Molecular FormulaC21H15N3O4
Molecular Weight373.37 g/mol
Exact Mass373.11
IUPAC Name2-(4-hydroxyphenyl)-7-methyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione
SMILESCn1c2c(c(=O)[nH]c1=O)C(c1ccc(O)cc1)C1=C(N2)c2ccccc2C1=O
InChIInChI=1S/C21H15N3O4/c1-24-19-16(20(27)23-21(24)28)14(10-6-8-11(25)9-7-10)15-17(22-19)12-4-2-3-5-13(12)18(15)26/h2-9,14,22,25H,1H3,(H,23,27,28)
InChIKeyWMMNWMKJPGFUDL-UHFFFAOYSA-N
XLogP1.94
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-(4-hydroxyphenyl)-7-methyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-7-methyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione?
The IUPAC name of 2-(4-hydroxyphenyl)-7-methyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione (CID 2893535) is 2-(4-hydroxyphenyl)-7-methyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione.
What is the SMILES notation for 2-(4-hydroxyphenyl)-7-methyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione?
The canonical SMILES for 2-(4-hydroxyphenyl)-7-methyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione is Cn1c2c(c(=O)[nH]c1=O)C(c1ccc(O)cc1)C1=C(N2)c2ccccc2C1=O.
What is the InChIKey of 2-(4-hydroxyphenyl)-7-methyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione?
The InChIKey is WMMNWMKJPGFUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O4/c1-24-19-16(20(27)23-21(24)28)14(10-6-8-11(25)9-7-10)15-17(22-19)12-4-2-3-5-13(12)18(15)26/h2-9,14,22,25H,1H3,(H,23,27,28).
What are the key properties of 2-(4-hydroxyphenyl)-7-methyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione?
2-(4-hydroxyphenyl)-7-methyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione has a molecular weight of 373.37 g/mol, XLogP of 1.94, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-7-methyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione is sourced from PubChem (CID 2893535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).