3-(4-chlorophenyl)quinoxaline-6-carboxylic acid

C15H9ClN2O2 — CID 146673768

IUPAC3-(4-chlorophenyl)quinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2ncc(-c3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C15H9ClN2O2/c16-11-4-1-9(2-5-11)14-8-17-12-6-3-10(15(19)20)7-13(12)18-14/h1-8H,(H,19,20)
InChIKeyIBNWAHIVDLDXGP-UHFFFAOYSA-N
MW284.70 g/mol
LogP3.65
Rot. Bonds2

About 3-(4-chlorophenyl)quinoxaline-6-carboxylic acid

3-(4-chlorophenyl)quinoxaline-6-carboxylic acid (PubChem CID 146673768) has the molecular formula C15H9ClN2O2 and a molecular weight of 284.70 g/mol. Its IUPAC name is 3-(4-chlorophenyl)quinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name3-(4-chlorophenyl)quinoxaline-6-carboxylic acid
PubChem CID146673768
Molecular FormulaC15H9ClN2O2
Molecular Weight284.70 g/mol
Exact Mass284.04
IUPAC Name3-(4-chlorophenyl)quinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2ncc(-c3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C15H9ClN2O2/c16-11-4-1-9(2-5-11)14-8-17-12-6-3-10(15(19)20)7-13(12)18-14/h1-8H,(H,19,20)
InChIKeyIBNWAHIVDLDXGP-UHFFFAOYSA-N
XLogP3.65
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.70
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-2-phenylquinoxaline
CID 12631823
3-(4-methoxyphenyl)quinoxaline-6-carboxamide
CID 15906060
6-chloroquinoline-3-carboxylic acid
CID 14241492
[3-(4-aminophenyl)quinoxalin-6-yl]-piperidin-1-ylmethanone
CID 135300412
2-[4-[5-(1,2,2-triphenylethenyl)-2-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]quinoxaline
CID 155174942
1-[3-[3-(4-chlorophenyl)quinoxaline-6-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide
CID 123207772
2-chloro-6-(4-chlorophenyl)pyridine-4-carboxylic acid
CID 79020635
6-(4-chlorophenyl)pyrazine-2-carboxylic acid
CID 83850719
N-hydroxy-3-(4-morpholin-4-ylphenyl)quinoxaline-6-carboxamide
CID 162733690
5-(4-chlorophenyl)pyrazine-2-carboxylic acid
CID 82389581
5-(4-chlorophenyl)pyrimido[4,5-c]quinoline-8-carboxylic acid
CID 57390928
quinoxaline-6-carboxylic acid chloride
CID 86626600

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)quinoxaline-6-carboxylic acid?
The IUPAC name of 3-(4-chlorophenyl)quinoxaline-6-carboxylic acid (CID 146673768) is 3-(4-chlorophenyl)quinoxaline-6-carboxylic acid.
What is the SMILES notation for 3-(4-chlorophenyl)quinoxaline-6-carboxylic acid?
The canonical SMILES for 3-(4-chlorophenyl)quinoxaline-6-carboxylic acid is O=C(O)c1ccc2ncc(-c3ccc(Cl)cc3)nc2c1.
What is the InChIKey of 3-(4-chlorophenyl)quinoxaline-6-carboxylic acid?
The InChIKey is IBNWAHIVDLDXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN2O2/c16-11-4-1-9(2-5-11)14-8-17-12-6-3-10(15(19)20)7-13(12)18-14/h1-8H,(H,19,20).
What are the key properties of 3-(4-chlorophenyl)quinoxaline-6-carboxylic acid?
3-(4-chlorophenyl)quinoxaline-6-carboxylic acid has a molecular weight of 284.70 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)quinoxaline-6-carboxylic acid is sourced from PubChem (CID 146673768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).