4-ethyl-11-(2-hydroxyphenyl)-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one

C15H12N6O2 — CID 56921510

IUPAC4-ethyl-11-(2-hydroxyphenyl)-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
SMILESCCc1nc2nnc3c(=O)n(-c4ccccc4O)ccc3n2n1
InChIInChI=1S/C15H12N6O2/c1-2-12-16-15-18-17-13-10(21(15)19-12)7-8-20(14(13)23)9-5-3-4-6-11(9)22/h3-8,22H,2H2,1H3
InChIKeyBOXYQYMIAGVCMW-UHFFFAOYSA-N
MW308.30 g/mol
LogP1.09
Rot. Bonds2

About 4-ethyl-11-(2-hydroxyphenyl)-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one

4-ethyl-11-(2-hydroxyphenyl)-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one (PubChem CID 56921510) has the molecular formula C15H12N6O2 and a molecular weight of 308.30 g/mol. Its IUPAC name is 4-ethyl-11-(2-hydroxyphenyl)-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one.

Molecular Properties

Compound Name4-ethyl-11-(2-hydroxyphenyl)-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
PubChem CID56921510
Molecular FormulaC15H12N6O2
Molecular Weight308.30 g/mol
Exact Mass308.10
IUPAC Name4-ethyl-11-(2-hydroxyphenyl)-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
SMILESCCc1nc2nnc3c(=O)n(-c4ccccc4O)ccc3n2n1
InChIInChI=1S/C15H12N6O2/c1-2-12-16-15-18-17-13-10(21(15)19-12)7-8-20(14(13)23)9-5-3-4-6-11(9)22/h3-8,22H,2H2,1H3
InChIKeyBOXYQYMIAGVCMW-UHFFFAOYSA-N
XLogP1.09
TPSA98.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-ethyl-11-(2-hydroxyphenyl)-2,3,5,7,8,11-hexazatricyclo[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 4-ethyl-11-(2-hydroxyphenyl)-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The IUPAC name of 4-ethyl-11-(2-hydroxyphenyl)-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one (CID 56921510) is 4-ethyl-11-(2-hydroxyphenyl)-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one.
What is the SMILES notation for 4-ethyl-11-(2-hydroxyphenyl)-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The canonical SMILES for 4-ethyl-11-(2-hydroxyphenyl)-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one is CCc1nc2nnc3c(=O)n(-c4ccccc4O)ccc3n2n1.
What is the InChIKey of 4-ethyl-11-(2-hydroxyphenyl)-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The InChIKey is BOXYQYMIAGVCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O2/c1-2-12-16-15-18-17-13-10(21(15)19-12)7-8-20(14(13)23)9-5-3-4-6-11(9)22/h3-8,22H,2H2,1H3.
What are the key properties of 4-ethyl-11-(2-hydroxyphenyl)-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
4-ethyl-11-(2-hydroxyphenyl)-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one has a molecular weight of 308.30 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-11-(2-hydroxyphenyl)-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one is sourced from PubChem (CID 56921510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).