3,5-dichloro-2-oxo-1H-pyridine-4-carboxamide;8-methoxy-2-(trifluoromethyl)quinoline-5-carboxylic acid

C18H12Cl2F3N3O5 — CID 70087539

IUPAC3,5-dichloro-2-oxo-1H-pyridine-4-carboxamide;8-methoxy-2-(trifluoromethyl)quinoline-5-carboxylic acid
SMILESCOc1ccc(C(=O)O)c2ccc(C(F)(F)F)nc12.NC(=O)c1c(Cl)c[nH]c(=O)c1Cl
InChIInChI=1S/C12H8F3NO3.C6H4Cl2N2O2/c1-19-8-4-2-7(11(17)18)6-3-5-9(12(13,14)15)16-10(6)8;7-2-1-10-6(12)4(8)3(2)5(9)11/h2-5H,1H3,(H,17,18);1H,(H2,9,11)(H,10,12)
InChIKeyZXIMJFDYVLVLRE-UHFFFAOYSA-N
MW478.21 g/mol
LogP3.74
Rot. Bonds3

About 3,5-dichloro-2-oxo-1H-pyridine-4-carboxamide;8-methoxy-2-(trifluoromethyl)quinoline-5-carboxylic acid

3,5-dichloro-2-oxo-1H-pyridine-4-carboxamide;8-methoxy-2-(trifluoromethyl)quinoline-5-carboxylic acid (PubChem CID 70087539) has the molecular formula C18H12Cl2F3N3O5 and a molecular weight of 478.21 g/mol. Its IUPAC name is 3,5-dichloro-2-oxo-1H-pyridine-4-carboxamide;8-methoxy-2-(trifluoromethyl)quinoline-5-carboxylic acid.

Molecular Properties

Compound Name3,5-dichloro-2-oxo-1H-pyridine-4-carboxamide;8-methoxy-2-(trifluoromethyl)quinoline-5-carboxylic acid
PubChem CID70087539
Molecular FormulaC18H12Cl2F3N3O5
Molecular Weight478.21 g/mol
Exact Mass477.01
IUPAC Name3,5-dichloro-2-oxo-1H-pyridine-4-carboxamide;8-methoxy-2-(trifluoromethyl)quinoline-5-carboxylic acid
SMILESCOc1ccc(C(=O)O)c2ccc(C(F)(F)F)nc12.NC(=O)c1c(Cl)c[nH]c(=O)c1Cl
InChIInChI=1S/C12H8F3NO3.C6H4Cl2N2O2/c1-19-8-4-2-7(11(17)18)6-3-5-9(12(13,14)15)16-10(6)8;7-2-1-10-6(12)4(8)3(2)5(9)11/h2-5H,1H3,(H,17,18);1H,(H2,9,11)(H,10,12)
InChIKeyZXIMJFDYVLVLRE-UHFFFAOYSA-N
XLogP3.74
TPSA135.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.21
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3,5-dichloro-2-oxo-1H-pyridine-4-carboxamide;8-methoxy-2-(trifluoromethyl)quinoline-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-oxo-1H-pyridine-4-carboxamide;8-methoxy-2-(trifluoromethyl)quinoline-5-carboxylic acid?
The IUPAC name of 3,5-dichloro-2-oxo-1H-pyridine-4-carboxamide;8-methoxy-2-(trifluoromethyl)quinoline-5-carboxylic acid (CID 70087539) is 3,5-dichloro-2-oxo-1H-pyridine-4-carboxamide;8-methoxy-2-(trifluoromethyl)quinoline-5-carboxylic acid.
What is the SMILES notation for 3,5-dichloro-2-oxo-1H-pyridine-4-carboxamide;8-methoxy-2-(trifluoromethyl)quinoline-5-carboxylic acid?
The canonical SMILES for 3,5-dichloro-2-oxo-1H-pyridine-4-carboxamide;8-methoxy-2-(trifluoromethyl)quinoline-5-carboxylic acid is COc1ccc(C(=O)O)c2ccc(C(F)(F)F)nc12.NC(=O)c1c(Cl)c[nH]c(=O)c1Cl.
What is the InChIKey of 3,5-dichloro-2-oxo-1H-pyridine-4-carboxamide;8-methoxy-2-(trifluoromethyl)quinoline-5-carboxylic acid?
The InChIKey is ZXIMJFDYVLVLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO3.C6H4Cl2N2O2/c1-19-8-4-2-7(11(17)18)6-3-5-9(12(13,14)15)16-10(6)8;7-2-1-10-6(12)4(8)3(2)5(9)11/h2-5H,1H3,(H,17,18);1H,(H2,9,11)(H,10,12).
What are the key properties of 3,5-dichloro-2-oxo-1H-pyridine-4-carboxamide;8-methoxy-2-(trifluoromethyl)quinoline-5-carboxylic acid?
3,5-dichloro-2-oxo-1H-pyridine-4-carboxamide;8-methoxy-2-(trifluoromethyl)quinoline-5-carboxylic acid has a molecular weight of 478.21 g/mol, XLogP of 3.74, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-oxo-1H-pyridine-4-carboxamide;8-methoxy-2-(trifluoromethyl)quinoline-5-carboxylic acid is sourced from PubChem (CID 70087539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).