8-chloro-4-(4-ethylphenyl)-3-oxoquinoxaline-2-carboxylic acid

C17H13ClN2O3 — CID 154665146

IUPAC8-chloro-4-(4-ethylphenyl)-3-oxoquinoxaline-2-carboxylic acid
SMILESCCc1ccc(-n2c(=O)c(C(=O)O)nc3c(Cl)cccc32)cc1
InChIInChI=1S/C17H13ClN2O3/c1-2-10-6-8-11(9-7-10)20-13-5-3-4-12(18)14(13)19-15(16(20)21)17(22)23/h3-9H,2H2,1H3,(H,22,23)
InChIKeyVKXKTHJLZUIEJC-UHFFFAOYSA-N
MW328.76 g/mol
LogP3.30
Rot. Bonds3

About 8-chloro-4-(4-ethylphenyl)-3-oxoquinoxaline-2-carboxylic acid

8-chloro-4-(4-ethylphenyl)-3-oxoquinoxaline-2-carboxylic acid (PubChem CID 154665146) has the molecular formula C17H13ClN2O3 and a molecular weight of 328.76 g/mol. Its IUPAC name is 8-chloro-4-(4-ethylphenyl)-3-oxoquinoxaline-2-carboxylic acid.

Molecular Properties

Compound Name8-chloro-4-(4-ethylphenyl)-3-oxoquinoxaline-2-carboxylic acid
PubChem CID154665146
Molecular FormulaC17H13ClN2O3
Molecular Weight328.76 g/mol
Exact Mass328.06
IUPAC Name8-chloro-4-(4-ethylphenyl)-3-oxoquinoxaline-2-carboxylic acid
SMILESCCc1ccc(-n2c(=O)c(C(=O)O)nc3c(Cl)cccc32)cc1
InChIInChI=1S/C17H13ClN2O3/c1-2-10-6-8-11(9-7-10)20-13-5-3-4-12(18)14(13)19-15(16(20)21)17(22)23/h3-9H,2H2,1H3,(H,22,23)
InChIKeyVKXKTHJLZUIEJC-UHFFFAOYSA-N
XLogP3.30
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-chloro-4-(4-ethylphenyl)-3-oxoquinoxaline-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 8-chloro-4-(4-ethylphenyl)-3-oxoquinoxaline-2-carboxylic acid?
The IUPAC name of 8-chloro-4-(4-ethylphenyl)-3-oxoquinoxaline-2-carboxylic acid (CID 154665146) is 8-chloro-4-(4-ethylphenyl)-3-oxoquinoxaline-2-carboxylic acid.
What is the SMILES notation for 8-chloro-4-(4-ethylphenyl)-3-oxoquinoxaline-2-carboxylic acid?
The canonical SMILES for 8-chloro-4-(4-ethylphenyl)-3-oxoquinoxaline-2-carboxylic acid is CCc1ccc(-n2c(=O)c(C(=O)O)nc3c(Cl)cccc32)cc1.
What is the InChIKey of 8-chloro-4-(4-ethylphenyl)-3-oxoquinoxaline-2-carboxylic acid?
The InChIKey is VKXKTHJLZUIEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3/c1-2-10-6-8-11(9-7-10)20-13-5-3-4-12(18)14(13)19-15(16(20)21)17(22)23/h3-9H,2H2,1H3,(H,22,23).
What are the key properties of 8-chloro-4-(4-ethylphenyl)-3-oxoquinoxaline-2-carboxylic acid?
8-chloro-4-(4-ethylphenyl)-3-oxoquinoxaline-2-carboxylic acid has a molecular weight of 328.76 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-(4-ethylphenyl)-3-oxoquinoxaline-2-carboxylic acid is sourced from PubChem (CID 154665146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).