3-(4-chlorophenyl)quinoxaline-5-carboxamide

C15H10ClN3O — CID 657038

IUPAC3-(4-chlorophenyl)quinoxaline-5-carboxamide
SMILESNC(=O)c1cccc2ncc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C15H10ClN3O/c16-10-6-4-9(5-7-10)13-8-18-12-3-1-2-11(15(17)20)14(12)19-13/h1-8H,(H2,17,20)
InChIKeyFLYGLPYJEQPCFY-UHFFFAOYSA-N
MW283.72 g/mol
LogP3.05
Rot. Bonds2

About 3-(4-chlorophenyl)quinoxaline-5-carboxamide

3-(4-chlorophenyl)quinoxaline-5-carboxamide (PubChem CID 657038) has the molecular formula C15H10ClN3O and a molecular weight of 283.72 g/mol. Its IUPAC name is 3-(4-chlorophenyl)quinoxaline-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)quinoxaline-5-carboxamide
PubChem CID657038
Molecular FormulaC15H10ClN3O
Molecular Weight283.72 g/mol
Exact Mass283.05
IUPAC Name3-(4-chlorophenyl)quinoxaline-5-carboxamide
SMILESNC(=O)c1cccc2ncc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C15H10ClN3O/c16-10-6-4-9(5-7-10)13-8-18-12-3-1-2-11(15(17)20)14(12)19-13/h1-8H,(H2,17,20)
InChIKeyFLYGLPYJEQPCFY-UHFFFAOYSA-N
XLogP3.05
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.72
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)quinoxaline-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)quinoxaline-5-carboxamide (CID 657038) is 3-(4-chlorophenyl)quinoxaline-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)quinoxaline-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)quinoxaline-5-carboxamide is NC(=O)c1cccc2ncc(-c3ccc(Cl)cc3)nc12.
What is the InChIKey of 3-(4-chlorophenyl)quinoxaline-5-carboxamide?
The InChIKey is FLYGLPYJEQPCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O/c16-10-6-4-9(5-7-10)13-8-18-12-3-1-2-11(15(17)20)14(12)19-13/h1-8H,(H2,17,20).
What are the key properties of 3-(4-chlorophenyl)quinoxaline-5-carboxamide?
3-(4-chlorophenyl)quinoxaline-5-carboxamide has a molecular weight of 283.72 g/mol, XLogP of 3.05, 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-5-carboxamide is sourced from PubChem (CID 657038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).