N-(4-methoxyphenyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide

C17H17N3O3 — CID 2843603

IUPACN-(4-methoxyphenyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide
SMILESCOc1ccc(NC(=O)CC2Nc3ccccc3NC2=O)cc1
InChIInChI=1S/C17H17N3O3/c1-23-12-8-6-11(7-9-12)18-16(21)10-15-17(22)20-14-5-3-2-4-13(14)19-15/h2-9,15,19H,10H2,1H3,(H,18,21)(H,20,22)
InChIKeyWLFZGQISTWRINC-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.46
Rot. Bonds4

About N-(4-methoxyphenyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide

N-(4-methoxyphenyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide (PubChem CID 2843603) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide
PubChem CID2843603
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-(4-methoxyphenyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide
SMILESCOc1ccc(NC(=O)CC2Nc3ccccc3NC2=O)cc1
InChIInChI=1S/C17H17N3O3/c1-23-12-8-6-11(7-9-12)18-16(21)10-15-17(22)20-14-5-3-2-4-13(14)19-15/h2-9,15,19H,10H2,1H3,(H,18,21)(H,20,22)
InChIKeyWLFZGQISTWRINC-UHFFFAOYSA-N
XLogP2.46
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide (CID 2843603) is N-(4-methoxyphenyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide is COc1ccc(NC(=O)CC2Nc3ccccc3NC2=O)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide?
The InChIKey is WLFZGQISTWRINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-23-12-8-6-11(7-9-12)18-16(21)10-15-17(22)20-14-5-3-2-4-13(14)19-15/h2-9,15,19H,10H2,1H3,(H,18,21)(H,20,22).
What are the key properties of N-(4-methoxyphenyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide?
N-(4-methoxyphenyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide has a molecular weight of 311.34 g/mol, XLogP of 2.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide is sourced from PubChem (CID 2843603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).