3-[chloro(phenyl)methyl]-1H-quinoxalin-2-one

C15H11ClN2O — CID 4262889

IUPAC3-[chloro(phenyl)methyl]-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1C(Cl)c1ccccc1
InChIInChI=1S/C15H11ClN2O/c16-13(10-6-2-1-3-7-10)14-15(19)18-12-9-5-4-8-11(12)17-14/h1-9,13H,(H,18,19)
InChIKeyMFLIQXVINXZLJV-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.25
Rot. Bonds2

About 3-[chloro(phenyl)methyl]-1H-quinoxalin-2-one

3-[chloro(phenyl)methyl]-1H-quinoxalin-2-one (PubChem CID 4262889) has the molecular formula C15H11ClN2O and a molecular weight of 270.72 g/mol. Its IUPAC name is 3-[chloro(phenyl)methyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[chloro(phenyl)methyl]-1H-quinoxalin-2-one
PubChem CID4262889
Molecular FormulaC15H11ClN2O
Molecular Weight270.72 g/mol
Exact Mass270.06
IUPAC Name3-[chloro(phenyl)methyl]-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1C(Cl)c1ccccc1
InChIInChI=1S/C15H11ClN2O/c16-13(10-6-2-1-3-7-10)14-15(19)18-12-9-5-4-8-11(12)17-14/h1-9,13H,(H,18,19)
InChIKeyMFLIQXVINXZLJV-UHFFFAOYSA-N
XLogP3.25
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-Phenylquinoxalin-2(1H)-one
CID 346902
3-(2-aminophenyl)quinoxalin-2(1H)-one
CID 262953
2-Benzyl-3-hydroxyquinoxaline
CID 659725
3-(2-(4-Chlorophenyl)-2-oxoethylidene)-1,2,3,4-tetrahydroquinoxalin-2-one
CID 587596
1,3-Dihydro-4-phenyl-2H-1,5-benzodiazepin-2-one
CID 177746
3-Hydroxy-2-phenylquinoxalin-1-ium-1-olate
CID 736441
4-[(E)-2-phenylethenyl]-1,3-dihydro-1,5-benzodiazepin-2-one
CID 754807
3-(4-Methylphenyl)-2-quinoxalinol
CID 807691
3-(4-chlorophenyl)-2(1H)-quinoxalinone
CID 2815692
3-(2-Phenylethyl)-1H-quinoxalin-2-one
CID 4884003
3-(2-Oxo-2-phenylethyl)quinoxalin-2(1h)-one
CID 223034
3-(2-phenylvinyl)-2(1H)-quinoxalinone
CID 5729506

Frequently Asked Questions

What is the IUPAC name of 3-[chloro(phenyl)methyl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[chloro(phenyl)methyl]-1H-quinoxalin-2-one (CID 4262889) is 3-[chloro(phenyl)methyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[chloro(phenyl)methyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[chloro(phenyl)methyl]-1H-quinoxalin-2-one is O=c1[nH]c2ccccc2nc1C(Cl)c1ccccc1.
What is the InChIKey of 3-[chloro(phenyl)methyl]-1H-quinoxalin-2-one?
The InChIKey is MFLIQXVINXZLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O/c16-13(10-6-2-1-3-7-10)14-15(19)18-12-9-5-4-8-11(12)17-14/h1-9,13H,(H,18,19).
What are the key properties of 3-[chloro(phenyl)methyl]-1H-quinoxalin-2-one?
3-[chloro(phenyl)methyl]-1H-quinoxalin-2-one has a molecular weight of 270.72 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[chloro(phenyl)methyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 4262889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).