3,5-dichloro-4-oxo-1H-quinoline-2-carboxylic acid

C10H5Cl2NO3 — CID 57358889

IUPAC3,5-dichloro-4-oxo-1H-quinoline-2-carboxylic acid
SMILESO=C(O)c1[nH]c2cccc(Cl)c2c(=O)c1Cl
InChIInChI=1S/C10H5Cl2NO3/c11-4-2-1-3-5-6(4)9(14)7(12)8(13-5)10(15)16/h1-3H,(H,13,14)(H,15,16)
InChIKeyFFCUUUHNDHPTDE-UHFFFAOYSA-N
MW258.06 g/mol
LogP2.53
Rot. Bonds1

About 3,5-dichloro-4-oxo-1H-quinoline-2-carboxylic acid

3,5-dichloro-4-oxo-1H-quinoline-2-carboxylic acid (PubChem CID 57358889) has the molecular formula C10H5Cl2NO3 and a molecular weight of 258.06 g/mol. Its IUPAC name is 3,5-dichloro-4-oxo-1H-quinoline-2-carboxylic acid.

Molecular Properties

Compound Name3,5-dichloro-4-oxo-1H-quinoline-2-carboxylic acid
PubChem CID57358889
Molecular FormulaC10H5Cl2NO3
Molecular Weight258.06 g/mol
Exact Mass256.96
IUPAC Name3,5-dichloro-4-oxo-1H-quinoline-2-carboxylic acid
SMILESO=C(O)c1[nH]c2cccc(Cl)c2c(=O)c1Cl
InChIInChI=1S/C10H5Cl2NO3/c11-4-2-1-3-5-6(4)9(14)7(12)8(13-5)10(15)16/h1-3H,(H,13,14)(H,15,16)
InChIKeyFFCUUUHNDHPTDE-UHFFFAOYSA-N
XLogP2.53
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.06
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,5-dichloro-4-oxo-1H-quinoline-2-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-4-oxo-1H-quinoline-2-carboxylic acid?
The IUPAC name of 3,5-dichloro-4-oxo-1H-quinoline-2-carboxylic acid (CID 57358889) is 3,5-dichloro-4-oxo-1H-quinoline-2-carboxylic acid.
What is the SMILES notation for 3,5-dichloro-4-oxo-1H-quinoline-2-carboxylic acid?
The canonical SMILES for 3,5-dichloro-4-oxo-1H-quinoline-2-carboxylic acid is O=C(O)c1[nH]c2cccc(Cl)c2c(=O)c1Cl.
What is the InChIKey of 3,5-dichloro-4-oxo-1H-quinoline-2-carboxylic acid?
The InChIKey is FFCUUUHNDHPTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2NO3/c11-4-2-1-3-5-6(4)9(14)7(12)8(13-5)10(15)16/h1-3H,(H,13,14)(H,15,16).
What are the key properties of 3,5-dichloro-4-oxo-1H-quinoline-2-carboxylic acid?
3,5-dichloro-4-oxo-1H-quinoline-2-carboxylic acid has a molecular weight of 258.06 g/mol, XLogP of 2.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-oxo-1H-quinoline-2-carboxylic acid is sourced from PubChem (CID 57358889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).