(2E)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetamide

C17H14N4O3 — CID 155542356

IUPAC(2E)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetamide
SMILESO=C(/C=C1/Nc2ccccc2NC1=O)N/N=C/c1ccccc1O
InChIInChI=1S/C17H14N4O3/c22-15-8-4-1-5-11(15)10-18-21-16(23)9-14-17(24)20-13-7-3-2-6-12(13)19-14/h1-10,19,22H,(H,20,24)(H,21,23)/b14-9+,18-10+
InChIKeyWLTCKAGUCHPJIZ-FCJXZZIYSA-N
MW322.32 g/mol
LogP1.79
Rot. Bonds3

About (2E)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetamide

(2E)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetamide (PubChem CID 155542356) has the molecular formula C17H14N4O3 and a molecular weight of 322.32 g/mol. Its IUPAC name is (2E)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetamide.

Molecular Properties

Compound Name(2E)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetamide
PubChem CID155542356
Molecular FormulaC17H14N4O3
Molecular Weight322.32 g/mol
Exact Mass322.11
IUPAC Name(2E)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetamide
SMILESO=C(/C=C1/Nc2ccccc2NC1=O)N/N=C/c1ccccc1O
InChIInChI=1S/C17H14N4O3/c22-15-8-4-1-5-11(15)10-18-21-16(23)9-14-17(24)20-13-7-3-2-6-12(13)19-14/h1-10,19,22H,(H,20,24)(H,21,23)/b14-9+,18-10+
InChIKeyWLTCKAGUCHPJIZ-FCJXZZIYSA-N
XLogP1.79
TPSA102.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 51.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-(3-Allyl-2-hydroxybenzylidene)hydrazino)-N-(4-methylphenyl)-2-oxoacetamide
CID 135433321
2-[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]-N-(2-methylphenyl)-2-oxoacetamide
CID 135419636
N'-(3-allyl-2-hydroxybenzylidene)-2-anilinoacetohydrazide
CID 135490294
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide
CID 135517103
N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide
CID 135520042
N'-[(1E)-(2-hydroxyphenyl)methylidene]-2-(1,2,3,4-tetrahydroquinolin-1-yl)acetohydrazide
CID 135521563
2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 164617873
N'-(2-Hydroxybenzylidene)-2-(3-toluidino)acetohydrazide
CID 135479388
2-(2-(2-Hydroxybenzylidene)hydrazino)-N-(4-methylphenyl)-2-oxoacetamide
CID 135459122
2,6-Pyridinedicarboxylic acid, 1,4-dihydro-1-(4-hydroxyphenyl)-4-oxo-, bis((2-hydroxyphenyl)methylene)hydrazide
CID 135801639
N-(4-Ethylphenyl)-2-(2-(2-hydroxybenzylidene)hydrazino)-2-oxoacetamide
CID 135531554
2-(4-fluoroanilino)-N'-[(2-hydroxyphenyl)methylene]acetohydrazide
CID 135698698

Frequently Asked Questions

What is the IUPAC name of (2E)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetamide?
The IUPAC name of (2E)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetamide (CID 155542356) is (2E)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetamide.
What is the SMILES notation for (2E)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetamide?
The canonical SMILES for (2E)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetamide is O=C(/C=C1/Nc2ccccc2NC1=O)N/N=C/c1ccccc1O.
What is the InChIKey of (2E)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetamide?
The InChIKey is WLTCKAGUCHPJIZ-FCJXZZIYSA-N. The full InChI is InChI=1S/C17H14N4O3/c22-15-8-4-1-5-11(15)10-18-21-16(23)9-14-17(24)20-13-7-3-2-6-12(13)19-14/h1-10,19,22H,(H,20,24)(H,21,23)/b14-9+,18-10+.
What are the key properties of (2E)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetamide?
(2E)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetamide has a molecular weight of 322.32 g/mol, XLogP of 1.79, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetamide is sourced from PubChem (CID 155542356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).