3-[2-(4-chlorophenyl)-2-oxoethyl]-1H-quinoxalin-2-one

C16H11ClN2O2 — CID 587596

IUPAC3-[2-(4-chlorophenyl)-2-oxoethyl]-1H-quinoxalin-2-one
SMILESO=C(Cc1nc2ccccc2[nH]c1=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClN2O2/c17-11-7-5-10(6-8-11)15(20)9-14-16(21)19-13-4-2-1-3-12(13)18-14/h1-8H,9H2,(H,19,21)
InChIKeyPFUPENWSRATQRL-UHFFFAOYSA-N
MW298.73 g/mol
LogP3.00
Rot. Bonds3

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

3-[2-(4-chlorophenyl)-2-oxoethyl]-1H-quinoxalin-2-one (PubChem CID 587596) has the molecular formula C16H11ClN2O2 and a molecular weight of 298.73 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)-2-oxoethyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)-2-oxoethyl]-1H-quinoxalin-2-one
PubChem CID587596
Molecular FormulaC16H11ClN2O2
Molecular Weight298.73 g/mol
Exact Mass298.05
IUPAC Name3-[2-(4-chlorophenyl)-2-oxoethyl]-1H-quinoxalin-2-one
SMILESO=C(Cc1nc2ccccc2[nH]c1=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClN2O2/c17-11-7-5-10(6-8-11)15(20)9-14-16(21)19-13-4-2-1-3-12(13)18-14/h1-8H,9H2,(H,19,21)
InChIKeyPFUPENWSRATQRL-UHFFFAOYSA-N
XLogP3.00
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-2(1H)-quinoxalinone
CID 2815692
3-(2-Oxo-2-phenylethyl)quinoxalin-2(1h)-one
CID 223034
3-(chloro(phenyl)methyl)quinoxalin-2(1H)-one
CID 4262889
4-chloro-N-(2-piperidin-1-ylphenyl)benzamide
CID 675060
Stk852423
CID 663911
3-[(4-chlorophenyl)methyl]-1H-quinoxalin-2-one
CID 9269642
2-Chloro-N-(2-((2-chlorobenzoyl)amino)phenyl)benzamide
CID 979098
N-[2-(4-benzoylpiperazin-1-yl)phenyl]-2-(4-chlorophenyl)acetamide
CID 1048472
N-[4-Chloro-2-(3-oxo-3,4-dihydro-quinoxalin-2-yl)-phenyl]-isobutyramide
CID 3163404
3-[2-(4-chlorophenyl)vinyl]-2(1H)-quinoxalinone
CID 5741242
4-[(E)-2-(4-chlorophenyl)ethenyl]-1,3-dihydro-1,5-benzodiazepin-2-one
CID 6285300
4-chloro-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide
CID 7186151

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)-2-oxoethyl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[2-(4-chlorophenyl)-2-oxoethyl]-1H-quinoxalin-2-one (CID 587596) is 3-[2-(4-chlorophenyl)-2-oxoethyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[2-(4-chlorophenyl)-2-oxoethyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[2-(4-chlorophenyl)-2-oxoethyl]-1H-quinoxalin-2-one is O=C(Cc1nc2ccccc2[nH]c1=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-[2-(4-chlorophenyl)-2-oxoethyl]-1H-quinoxalin-2-one?
The InChIKey is PFUPENWSRATQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O2/c17-11-7-5-10(6-8-11)15(20)9-14-16(21)19-13-4-2-1-3-12(13)18-14/h1-8H,9H2,(H,19,21).
What are the key properties of 3-[2-(4-chlorophenyl)-2-oxoethyl]-1H-quinoxalin-2-one?
3-[2-(4-chlorophenyl)-2-oxoethyl]-1H-quinoxalin-2-one has a molecular weight of 298.73 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)-2-oxoethyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 587596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).