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

C19H19N5O3 — CID 3689186

IUPACN-(4-ethoxyphenyl)-2-hydrazinylidene-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
SMILESCCOc1ccc(NC(=O)C(Cc2nc3ccccc3[nH]c2=O)=NN)cc1
InChIInChI=1S/C19H19N5O3/c1-2-27-13-9-7-12(8-10-13)21-19(26)17(24-20)11-16-18(25)23-15-6-4-3-5-14(15)22-16/h3-10H,2,11,20H2,1H3,(H,21,26)(H,23,25)
InChIKeyZLPLLVFVWVPEIP-UHFFFAOYSA-N
MW365.39 g/mol
LogP1.82
Rot. Bonds6

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

N-(4-ethoxyphenyl)-2-hydrazinylidene-3-(3-oxo-4H-quinoxalin-2-yl)propanamide (PubChem CID 3689186) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-hydrazinylidene-3-(3-oxo-4H-quinoxalin-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-hydrazinylidene-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
PubChem CID3689186
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC NameN-(4-ethoxyphenyl)-2-hydrazinylidene-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
SMILESCCOc1ccc(NC(=O)C(Cc2nc3ccccc3[nH]c2=O)=NN)cc1
InChIInChI=1S/C19H19N5O3/c1-2-27-13-9-7-12(8-10-13)21-19(26)17(24-20)11-16-18(25)23-15-6-4-3-5-14(15)22-16/h3-10H,2,11,20H2,1H3,(H,21,26)(H,23,25)
InChIKeyZLPLLVFVWVPEIP-UHFFFAOYSA-N
XLogP1.82
TPSA122.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethoxyphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164677
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-ethoxyphenyl)acetamide
CID 40692441
1-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(4-ethoxyphenyl)urea
CID 50825327
2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-ethoxyphenyl)acetamide
CID 742340
(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-ethoxyphenyl)propanamide
CID 762694
N-[4-[(3-oxo-4H-quinoxalin-2-yl)methyl]phenyl]acetamide
CID 15531658
2-(4-fluorophenoxy)-N-[4-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]phenyl]acetamide
CID 46390480
N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 136786975
[4-[(Z)-[3-(3-oxo-4H-quinoxalin-2-yl)propanoylhydrazinylidene]methyl]phenyl] acetate
CID 110509725
N-[(Z)-[1-(3,5-dichloroanilino)-1-oxo-3-(3-oxo-4H-quinoxalin-2-yl)propan-2-ylidene]amino]pyridine-4-carboxamide
CID 5479725
N-[(E)-(3,4-diethoxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110338901
3-(3-oxo-4H-quinoxalin-2-yl)-N-[(E)-[4-(2-phenylethoxy)phenyl]methylideneamino]propanamide
CID 110338874

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-hydrazinylidene-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-hydrazinylidene-3-(3-oxo-4H-quinoxalin-2-yl)propanamide (CID 3689186) is N-(4-ethoxyphenyl)-2-hydrazinylidene-3-(3-oxo-4H-quinoxalin-2-yl)propanamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-hydrazinylidene-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-hydrazinylidene-3-(3-oxo-4H-quinoxalin-2-yl)propanamide is CCOc1ccc(NC(=O)C(Cc2nc3ccccc3[nH]c2=O)=NN)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-hydrazinylidene-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The InChIKey is ZLPLLVFVWVPEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-2-27-13-9-7-12(8-10-13)21-19(26)17(24-20)11-16-18(25)23-15-6-4-3-5-14(15)22-16/h3-10H,2,11,20H2,1H3,(H,21,26)(H,23,25).
What are the key properties of N-(4-ethoxyphenyl)-2-hydrazinylidene-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
N-(4-ethoxyphenyl)-2-hydrazinylidene-3-(3-oxo-4H-quinoxalin-2-yl)propanamide has a molecular weight of 365.39 g/mol, XLogP of 1.82, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-hydrazinylidene-3-(3-oxo-4H-quinoxalin-2-yl)propanamide is sourced from PubChem (CID 3689186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).