9-hydroxy-N-(4-methoxyphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide

C19H16N2O4 — CID 54676962

IUPAC9-hydroxy-N-(4-methoxyphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide
SMILESCOc1ccc(NC(=O)c2c(O)c3cccc4c3n(c2=O)CC4)cc1
InChIInChI=1S/C19H16N2O4/c1-25-13-7-5-12(6-8-13)20-18(23)15-17(22)14-4-2-3-11-9-10-21(16(11)14)19(15)24/h2-8,22H,9-10H2,1H3,(H,20,23)
InChIKeyOYMMPVPIGCWPOW-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.52
Rot. Bonds3

About 9-hydroxy-N-(4-methoxyphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide

9-hydroxy-N-(4-methoxyphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide (PubChem CID 54676962) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is 9-hydroxy-N-(4-methoxyphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide.

Molecular Properties

Compound Name9-hydroxy-N-(4-methoxyphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide
PubChem CID54676962
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name9-hydroxy-N-(4-methoxyphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide
SMILESCOc1ccc(NC(=O)c2c(O)c3cccc4c3n(c2=O)CC4)cc1
InChIInChI=1S/C19H16N2O4/c1-25-13-7-5-12(6-8-13)20-18(23)15-17(22)14-4-2-3-11-9-10-21(16(11)14)19(15)24/h2-8,22H,9-10H2,1H3,(H,20,23)
InChIKeyOYMMPVPIGCWPOW-UHFFFAOYSA-N
XLogP2.52
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-N-(4-methoxyphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide?
The IUPAC name of 9-hydroxy-N-(4-methoxyphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide (CID 54676962) is 9-hydroxy-N-(4-methoxyphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide.
What is the SMILES notation for 9-hydroxy-N-(4-methoxyphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide?
The canonical SMILES for 9-hydroxy-N-(4-methoxyphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide is COc1ccc(NC(=O)c2c(O)c3cccc4c3n(c2=O)CC4)cc1.
What is the InChIKey of 9-hydroxy-N-(4-methoxyphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide?
The InChIKey is OYMMPVPIGCWPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-25-13-7-5-12(6-8-13)20-18(23)15-17(22)14-4-2-3-11-9-10-21(16(11)14)19(15)24/h2-8,22H,9-10H2,1H3,(H,20,23).
What are the key properties of 9-hydroxy-N-(4-methoxyphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide?
9-hydroxy-N-(4-methoxyphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide has a molecular weight of 336.35 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-N-(4-methoxyphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide is sourced from PubChem (CID 54676962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).