10-(4-fluorophenyl)-8,11-dioxo-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxylic acid

C18H15FN2O4 — CID 142563778

IUPAC10-(4-fluorophenyl)-8,11-dioxo-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxylic acid
SMILESO=C(O)c1cn2c(c(-c3ccc(F)cc3)c1=O)C(=O)N1CCCC1C2
InChIInChI=1S/C18H15FN2O4/c19-11-5-3-10(4-6-11)14-15-17(23)21-7-1-2-12(21)8-20(15)9-13(16(14)22)18(24)25/h3-6,9,12H,1-2,7-8H2,(H,24,25)
InChIKeyLCSOANRMIBQCCG-UHFFFAOYSA-N
MW342.33 g/mol
LogP1.97
Rot. Bonds2

About 10-(4-fluorophenyl)-8,11-dioxo-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxylic acid

10-(4-fluorophenyl)-8,11-dioxo-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxylic acid (PubChem CID 142563778) has the molecular formula C18H15FN2O4 and a molecular weight of 342.33 g/mol. Its IUPAC name is 10-(4-fluorophenyl)-8,11-dioxo-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxylic acid.

Molecular Properties

Compound Name10-(4-fluorophenyl)-8,11-dioxo-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxylic acid
PubChem CID142563778
Molecular FormulaC18H15FN2O4
Molecular Weight342.33 g/mol
Exact Mass342.10
IUPAC Name10-(4-fluorophenyl)-8,11-dioxo-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxylic acid
SMILESO=C(O)c1cn2c(c(-c3ccc(F)cc3)c1=O)C(=O)N1CCCC1C2
InChIInChI=1S/C18H15FN2O4/c19-11-5-3-10(4-6-11)14-15-17(23)21-7-1-2-12(21)8-20(15)9-13(16(14)22)18(24)25/h3-6,9,12H,1-2,7-8H2,(H,24,25)
InChIKeyLCSOANRMIBQCCG-UHFFFAOYSA-N
XLogP1.97
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-(4-fluorophenyl)-8,11-dioxo-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxylic acid?
The IUPAC name of 10-(4-fluorophenyl)-8,11-dioxo-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxylic acid (CID 142563778) is 10-(4-fluorophenyl)-8,11-dioxo-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxylic acid.
What is the SMILES notation for 10-(4-fluorophenyl)-8,11-dioxo-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxylic acid?
The canonical SMILES for 10-(4-fluorophenyl)-8,11-dioxo-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxylic acid is O=C(O)c1cn2c(c(-c3ccc(F)cc3)c1=O)C(=O)N1CCCC1C2.
What is the InChIKey of 10-(4-fluorophenyl)-8,11-dioxo-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxylic acid?
The InChIKey is LCSOANRMIBQCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O4/c19-11-5-3-10(4-6-11)14-15-17(23)21-7-1-2-12(21)8-20(15)9-13(16(14)22)18(24)25/h3-6,9,12H,1-2,7-8H2,(H,24,25).
What are the key properties of 10-(4-fluorophenyl)-8,11-dioxo-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxylic acid?
10-(4-fluorophenyl)-8,11-dioxo-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxylic acid has a molecular weight of 342.33 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-fluorophenyl)-8,11-dioxo-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxylic acid is sourced from PubChem (CID 142563778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).