4-(2-amino-4-chlorophenyl)-1,3-dihydroquinoxalin-2-one

C14H12ClN3O — CID 28822158

IUPAC4-(2-amino-4-chlorophenyl)-1,3-dihydroquinoxalin-2-one
SMILESNc1cc(Cl)ccc1N1CC(=O)Nc2ccccc21
InChIInChI=1S/C14H12ClN3O/c15-9-5-6-12(10(16)7-9)18-8-14(19)17-11-3-1-2-4-13(11)18/h1-7H,8,16H2,(H,17,19)
InChIKeyPFFODTDGKQQYAJ-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.01
Rot. Bonds1

About 4-(2-amino-4-chlorophenyl)-1,3-dihydroquinoxalin-2-one

4-(2-amino-4-chlorophenyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 28822158) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is 4-(2-amino-4-chlorophenyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(2-amino-4-chlorophenyl)-1,3-dihydroquinoxalin-2-one
PubChem CID28822158
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name4-(2-amino-4-chlorophenyl)-1,3-dihydroquinoxalin-2-one
SMILESNc1cc(Cl)ccc1N1CC(=O)Nc2ccccc21
InChIInChI=1S/C14H12ClN3O/c15-9-5-6-12(10(16)7-9)18-8-14(19)17-11-3-1-2-4-13(11)18/h1-7H,8,16H2,(H,17,19)
InChIKeyPFFODTDGKQQYAJ-UHFFFAOYSA-N
XLogP3.01
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-chloro-4-(hydroxymethyl)phenyl]-1,3-dihydroquinoxalin-2-one
CID 81152428
4-aminooxy-1,3-dihydroquinoxalin-2-one
CID 176828286
4-[4-(aminomethyl)-2-bromophenyl]-1,3-dihydroquinoxalin-2-one
CID 82794081
1-(2-aminophenyl)imidazolidine-2,4-dione
CID 83818017
2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzonitrile
CID 28822343
5-methyl-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzenecarbothioamide
CID 107928491
5-bromo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzonitrile
CID 114890428
5-methyl-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzonitrile
CID 107926990
4-(3-amino-5-bromo-2-pyridinyl)-1,3-dihydroquinoxalin-2-one
CID 61228469
4-(2-amino-5-chlorophenyl)piperazine-2,6-dione
CID 115469095
4-(4-bromophenyl)-1,3-dihydroquinoxalin-2-one
CID 117006597
4-(4,6-dimethylpyrimidin-2-yl)-1,3-dihydroquinoxalin-2-one
CID 15894106

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-chlorophenyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(2-amino-4-chlorophenyl)-1,3-dihydroquinoxalin-2-one (CID 28822158) is 4-(2-amino-4-chlorophenyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(2-amino-4-chlorophenyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(2-amino-4-chlorophenyl)-1,3-dihydroquinoxalin-2-one is Nc1cc(Cl)ccc1N1CC(=O)Nc2ccccc21.
What is the InChIKey of 4-(2-amino-4-chlorophenyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is PFFODTDGKQQYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c15-9-5-6-12(10(16)7-9)18-8-14(19)17-11-3-1-2-4-13(11)18/h1-7H,8,16H2,(H,17,19).
What are the key properties of 4-(2-amino-4-chlorophenyl)-1,3-dihydroquinoxalin-2-one?
4-(2-amino-4-chlorophenyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 273.72 g/mol, XLogP of 3.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-chlorophenyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 28822158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).