N-(4-ethoxyphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide

C19H19N3O3 — CID 19164677

IUPACN-(4-ethoxyphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
SMILESCCOc1ccc(NC(=O)CCc2nc3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C19H19N3O3/c1-2-25-14-9-7-13(8-10-14)20-18(23)12-11-17-19(24)22-16-6-4-3-5-15(16)21-17/h3-10H,2,11-12H2,1H3,(H,20,23)(H,22,24)
InChIKeyHOPAGWZNBOMPNT-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.89
Rot. Bonds6

About N-(4-ethoxyphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide

N-(4-ethoxyphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide (PubChem CID 19164677) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
PubChem CID19164677
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-(4-ethoxyphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
SMILESCCOc1ccc(NC(=O)CCc2nc3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C19H19N3O3/c1-2-25-14-9-7-13(8-10-14)20-18(23)12-11-17-19(24)22-16-6-4-3-5-15(16)21-17/h3-10H,2,11-12H2,1H3,(H,20,23)(H,22,24)
InChIKeyHOPAGWZNBOMPNT-UHFFFAOYSA-N
XLogP2.89
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-2-hydrazinylidene-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 3689186
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 108727285
N-(2-ethylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164668
N-(4-cyclohexylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164724
N-(2,6-dimethylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164666
2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-ethoxyphenyl)acetamide
CID 742340
N-(4-methyl-2-pyridinyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164738
N-[2,6-di(propan-2-yl)phenyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164657
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-ethoxyphenyl)acetamide
CID 40692441
N-(1-methyl-2,3-dihydroindol-6-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110744697
1-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(4-ethoxyphenyl)urea
CID 50825327
N-(cyanomethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 82299514

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The IUPAC name of N-(4-ethoxyphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide (CID 19164677) is N-(4-ethoxyphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide is CCOc1ccc(NC(=O)CCc2nc3ccccc3[nH]c2=O)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The InChIKey is HOPAGWZNBOMPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-2-25-14-9-7-13(8-10-14)20-18(23)12-11-17-19(24)22-16-6-4-3-5-15(16)21-17/h3-10H,2,11-12H2,1H3,(H,20,23)(H,22,24).
What are the key properties of N-(4-ethoxyphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
N-(4-ethoxyphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide has a molecular weight of 337.38 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide is sourced from PubChem (CID 19164677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).