3-(4-chlorophenyl)-1H-quinoxalin-2-one

C14H9ClN2O — CID 2815692

IUPAC3-(4-chlorophenyl)-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1-c1ccc(Cl)cc1
InChIInChI=1S/C14H9ClN2O/c15-10-7-5-9(6-8-10)13-14(18)17-12-4-2-1-3-11(12)16-13/h1-8H,(H,17,18)
InChIKeyJMDMUDORVGKKNF-UHFFFAOYSA-N
MW256.69 g/mol
LogP3.24
Rot. Bonds1

About 3-(4-chlorophenyl)-1H-quinoxalin-2-one

3-(4-chlorophenyl)-1H-quinoxalin-2-one (PubChem CID 2815692) has the molecular formula C14H9ClN2O and a molecular weight of 256.69 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1H-quinoxalin-2-one
PubChem CID2815692
Molecular FormulaC14H9ClN2O
Molecular Weight256.69 g/mol
Exact Mass256.04
IUPAC Name3-(4-chlorophenyl)-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1-c1ccc(Cl)cc1
InChIInChI=1S/C14H9ClN2O/c15-10-7-5-9(6-8-10)13-14(18)17-12-4-2-1-3-11(12)16-13/h1-8H,(H,17,18)
InChIKeyJMDMUDORVGKKNF-UHFFFAOYSA-N
XLogP3.24
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1H-quinoxalin-2-one?
The IUPAC name of 3-(4-chlorophenyl)-1H-quinoxalin-2-one (CID 2815692) is 3-(4-chlorophenyl)-1H-quinoxalin-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)-1H-quinoxalin-2-one?
The canonical SMILES for 3-(4-chlorophenyl)-1H-quinoxalin-2-one is O=c1[nH]c2ccccc2nc1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1H-quinoxalin-2-one?
The InChIKey is JMDMUDORVGKKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O/c15-10-7-5-9(6-8-10)13-14(18)17-12-4-2-1-3-11(12)16-13/h1-8H,(H,17,18).
What are the key properties of 3-(4-chlorophenyl)-1H-quinoxalin-2-one?
3-(4-chlorophenyl)-1H-quinoxalin-2-one has a molecular weight of 256.69 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1H-quinoxalin-2-one is sourced from PubChem (CID 2815692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).