12-(4-hydroxyphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carboxamide

C17H12N4O2 — CID 58266793

IUPAC12-(4-hydroxyphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carboxamide
SMILESNC(=O)c1cc2c(cn1)[nH]c1ncc(-c3ccc(O)cc3)cc12
InChIInChI=1S/C17H12N4O2/c18-16(23)14-6-12-13-5-10(9-1-3-11(22)4-2-9)7-20-17(13)21-15(12)8-19-14/h1-8,22H,(H2,18,23)(H,20,21)
InChIKeyOWCMYXUABBAFHX-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.58
Rot. Bonds2

About 12-(4-hydroxyphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carboxamide

12-(4-hydroxyphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carboxamide (PubChem CID 58266793) has the molecular formula C17H12N4O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 12-(4-hydroxyphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carboxamide.

Molecular Properties

Compound Name12-(4-hydroxyphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carboxamide
PubChem CID58266793
Molecular FormulaC17H12N4O2
Molecular Weight304.31 g/mol
Exact Mass304.10
IUPAC Name12-(4-hydroxyphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carboxamide
SMILESNC(=O)c1cc2c(cn1)[nH]c1ncc(-c3ccc(O)cc3)cc12
InChIInChI=1S/C17H12N4O2/c18-16(23)14-6-12-13-5-10(9-1-3-11(22)4-2-9)7-20-17(13)21-15(12)8-19-14/h1-8,22H,(H2,18,23)(H,20,21)
InChIKeyOWCMYXUABBAFHX-UHFFFAOYSA-N
XLogP2.58
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 12-(4-hydroxyphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carboxamide?
The IUPAC name of 12-(4-hydroxyphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carboxamide (CID 58266793) is 12-(4-hydroxyphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carboxamide.
What is the SMILES notation for 12-(4-hydroxyphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carboxamide?
The canonical SMILES for 12-(4-hydroxyphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carboxamide is NC(=O)c1cc2c(cn1)[nH]c1ncc(-c3ccc(O)cc3)cc12.
What is the InChIKey of 12-(4-hydroxyphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carboxamide?
The InChIKey is OWCMYXUABBAFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2/c18-16(23)14-6-12-13-5-10(9-1-3-11(22)4-2-9)7-20-17(13)21-15(12)8-19-14/h1-8,22H,(H2,18,23)(H,20,21).
What are the key properties of 12-(4-hydroxyphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carboxamide?
12-(4-hydroxyphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carboxamide has a molecular weight of 304.31 g/mol, XLogP of 2.58, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4-hydroxyphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carboxamide is sourced from PubChem (CID 58266793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).