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

C19H21N3O3 — CID 3744049

IUPAC2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-(4-propoxyphenyl)acetamide
SMILESCCCOc1ccc(NC(=O)CC2Nc3ccccc3NC2=O)cc1
InChIInChI=1S/C19H21N3O3/c1-2-11-25-14-9-7-13(8-10-14)20-18(23)12-17-19(24)22-16-6-4-3-5-15(16)21-17/h3-10,17,21H,2,11-12H2,1H3,(H,20,23)(H,22,24)
InChIKeyARMQBGXTYQKAJS-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.24
Rot. Bonds6

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

2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-(4-propoxyphenyl)acetamide (PubChem CID 3744049) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-(4-propoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-(4-propoxyphenyl)acetamide
PubChem CID3744049
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-(4-propoxyphenyl)acetamide
SMILESCCCOc1ccc(NC(=O)CC2Nc3ccccc3NC2=O)cc1
InChIInChI=1S/C19H21N3O3/c1-2-11-25-14-9-7-13(8-10-14)20-18(23)12-17-19(24)22-16-6-4-3-5-15(16)21-17/h3-10,17,21H,2,11-12H2,1H3,(H,20,23)(H,22,24)
InChIKeyARMQBGXTYQKAJS-UHFFFAOYSA-N
XLogP3.24
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-(4-propoxyphenyl)acetamide?
The IUPAC name of 2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-(4-propoxyphenyl)acetamide (CID 3744049) is 2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-(4-propoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-(4-propoxyphenyl)acetamide?
The canonical SMILES for 2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-(4-propoxyphenyl)acetamide is CCCOc1ccc(NC(=O)CC2Nc3ccccc3NC2=O)cc1.
What is the InChIKey of 2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-(4-propoxyphenyl)acetamide?
The InChIKey is ARMQBGXTYQKAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-2-11-25-14-9-7-13(8-10-14)20-18(23)12-17-19(24)22-16-6-4-3-5-15(16)21-17/h3-10,17,21H,2,11-12H2,1H3,(H,20,23)(H,22,24).
What are the key properties of 2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-(4-propoxyphenyl)acetamide?
2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-(4-propoxyphenyl)acetamide has a molecular weight of 339.40 g/mol, XLogP of 3.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-(4-propoxyphenyl)acetamide is sourced from PubChem (CID 3744049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).