N-(2-chloro-4,6-dimethylphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide

C18H16ClN3O2 — CID 8012872

IUPACN-(2-chloro-4,6-dimethylphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESCc1cc(C)c(NC(=O)Cn2c(=O)cnc3ccccc32)c(Cl)c1
InChIInChI=1S/C18H16ClN3O2/c1-11-7-12(2)18(13(19)8-11)21-16(23)10-22-15-6-4-3-5-14(15)20-9-17(22)24/h3-9H,10H2,1-2H3,(H,21,23)
InChIKeyXYSCWLHMAXGGKC-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.31
Rot. Bonds3

About N-(2-chloro-4,6-dimethylphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide

N-(2-chloro-4,6-dimethylphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide (PubChem CID 8012872) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
PubChem CID8012872
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESCc1cc(C)c(NC(=O)Cn2c(=O)cnc3ccccc32)c(Cl)c1
InChIInChI=1S/C18H16ClN3O2/c1-11-7-12(2)18(13(19)8-11)21-16(23)10-22-15-6-4-3-5-14(15)20-9-17(22)24/h3-9H,10H2,1-2H3,(H,21,23)
InChIKeyXYSCWLHMAXGGKC-UHFFFAOYSA-N
XLogP3.31
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-oxoquinoxalin-1-yl)-N-[4-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]phenyl]acetamide
CID 166181883
N-(2,6-difluorophenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 8023290
N-(2-chloro-4,6-dimethylphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195253
2-(2-oxoquinoxalin-1-yl)-N-phenylacetamide
CID 4805436
N-(3-acetylphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 2711463
N-(2-fluorophenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 8023095
2-(2-oxoquinoxalin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 8023093
methyl 4-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]benzoate
CID 26098218
2-(2-oxoquinoxalin-1-yl)-N-(1-propylbenzimidazol-2-yl)acetamide
CID 16585553
N-[3-(hydroxymethyl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 110877124
N-methyl-3-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]benzamide
CID 18146174
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 18200557

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide (CID 8012872) is N-(2-chloro-4,6-dimethylphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide is Cc1cc(C)c(NC(=O)Cn2c(=O)cnc3ccccc32)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide?
The InChIKey is XYSCWLHMAXGGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-11-7-12(2)18(13(19)8-11)21-16(23)10-22-15-6-4-3-5-14(15)20-9-17(22)24/h3-9H,10H2,1-2H3,(H,21,23).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide?
N-(2-chloro-4,6-dimethylphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide has a molecular weight of 341.80 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide is sourced from PubChem (CID 8012872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).