N-[4-(4-methyl-3-oxo-2H-quinoxaline-1-carbonyl)phenyl]acetamide

C18H17N3O3 — CID 110669527

IUPACN-[4-(4-methyl-3-oxo-2H-quinoxaline-1-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CC(=O)N(C)c3ccccc32)cc1
InChIInChI=1S/C18H17N3O3/c1-12(22)19-14-9-7-13(8-10-14)18(24)21-11-17(23)20(2)15-5-3-4-6-16(15)21/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeySBMDQLIYMWOVPS-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.27
Rot. Bonds2

About N-[4-(4-methyl-3-oxo-2H-quinoxaline-1-carbonyl)phenyl]acetamide

N-[4-(4-methyl-3-oxo-2H-quinoxaline-1-carbonyl)phenyl]acetamide (PubChem CID 110669527) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-[4-(4-methyl-3-oxo-2H-quinoxaline-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-methyl-3-oxo-2H-quinoxaline-1-carbonyl)phenyl]acetamide
PubChem CID110669527
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-[4-(4-methyl-3-oxo-2H-quinoxaline-1-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CC(=O)N(C)c3ccccc32)cc1
InChIInChI=1S/C18H17N3O3/c1-12(22)19-14-9-7-13(8-10-14)18(24)21-11-17(23)20(2)15-5-3-4-6-16(15)21/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeySBMDQLIYMWOVPS-UHFFFAOYSA-N
XLogP2.27
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methyl-3-oxo-2H-quinoxaline-1-carbonyl)phenyl]acetamide?
The IUPAC name of N-[4-(4-methyl-3-oxo-2H-quinoxaline-1-carbonyl)phenyl]acetamide (CID 110669527) is N-[4-(4-methyl-3-oxo-2H-quinoxaline-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(4-methyl-3-oxo-2H-quinoxaline-1-carbonyl)phenyl]acetamide?
The canonical SMILES for N-[4-(4-methyl-3-oxo-2H-quinoxaline-1-carbonyl)phenyl]acetamide is CC(=O)Nc1ccc(C(=O)N2CC(=O)N(C)c3ccccc32)cc1.
What is the InChIKey of N-[4-(4-methyl-3-oxo-2H-quinoxaline-1-carbonyl)phenyl]acetamide?
The InChIKey is SBMDQLIYMWOVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-12(22)19-14-9-7-13(8-10-14)18(24)21-11-17(23)20(2)15-5-3-4-6-16(15)21/h3-10H,11H2,1-2H3,(H,19,22).
What are the key properties of N-[4-(4-methyl-3-oxo-2H-quinoxaline-1-carbonyl)phenyl]acetamide?
N-[4-(4-methyl-3-oxo-2H-quinoxaline-1-carbonyl)phenyl]acetamide has a molecular weight of 323.35 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methyl-3-oxo-2H-quinoxaline-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 110669527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).