N-(4-chlorophenyl)-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide

C17H14ClN3O2 — CID 46507833

IUPACN-(4-chlorophenyl)-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
SMILESCc1nc2ccccc2n(CC(=O)Nc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C17H14ClN3O2/c1-11-17(23)21(15-5-3-2-4-14(15)19-11)10-16(22)20-13-8-6-12(18)7-9-13/h2-9H,10H2,1H3,(H,20,22)
InChIKeyBQEIOJGGRPELPE-UHFFFAOYSA-N
MW327.77 g/mol
LogP3.00
Rot. Bonds3

About N-(4-chlorophenyl)-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide

N-(4-chlorophenyl)-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide (PubChem CID 46507833) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
PubChem CID46507833
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC NameN-(4-chlorophenyl)-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
SMILESCc1nc2ccccc2n(CC(=O)Nc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C17H14ClN3O2/c1-11-17(23)21(15-5-3-2-4-14(15)19-11)10-16(22)20-13-8-6-12(18)7-9-13/h2-9H,10H2,1H3,(H,20,22)
InChIKeyBQEIOJGGRPELPE-UHFFFAOYSA-N
XLogP3.00
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-chlorophenyl)-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide (CID 46507833) is N-(4-chlorophenyl)-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide is Cc1nc2ccccc2n(CC(=O)Nc2ccc(Cl)cc2)c1=O.
What is the InChIKey of N-(4-chlorophenyl)-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide?
The InChIKey is BQEIOJGGRPELPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c1-11-17(23)21(15-5-3-2-4-14(15)19-11)10-16(22)20-13-8-6-12(18)7-9-13/h2-9H,10H2,1H3,(H,20,22).
What are the key properties of N-(4-chlorophenyl)-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide?
N-(4-chlorophenyl)-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide has a molecular weight of 327.77 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide is sourced from PubChem (CID 46507833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).