ethyl 1-[(4-methoxyphenyl)carbamoyl]-3-oxo-2,4-dihydroquinoxaline-2-carboxylate

C19H19N3O5 — CID 10832867

IUPACethyl 1-[(4-methoxyphenyl)carbamoyl]-3-oxo-2,4-dihydroquinoxaline-2-carboxylate
SMILESCCOC(=O)C1C(=O)Nc2ccccc2N1C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C19H19N3O5/c1-3-27-18(24)16-17(23)21-14-6-4-5-7-15(14)22(16)19(25)20-12-8-10-13(26-2)11-9-12/h4-11,16H,3H2,1-2H3,(H,20,25)(H,21,23)
InChIKeyZBNNWMLFUXRRLH-UHFFFAOYSA-N
MW369.38 g/mol
LogP2.62
Rot. Bonds4

About ethyl 1-[(4-methoxyphenyl)carbamoyl]-3-oxo-2,4-dihydroquinoxaline-2-carboxylate

ethyl 1-[(4-methoxyphenyl)carbamoyl]-3-oxo-2,4-dihydroquinoxaline-2-carboxylate (PubChem CID 10832867) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is ethyl 1-[(4-methoxyphenyl)carbamoyl]-3-oxo-2,4-dihydroquinoxaline-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(4-methoxyphenyl)carbamoyl]-3-oxo-2,4-dihydroquinoxaline-2-carboxylate
PubChem CID10832867
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Nameethyl 1-[(4-methoxyphenyl)carbamoyl]-3-oxo-2,4-dihydroquinoxaline-2-carboxylate
SMILESCCOC(=O)C1C(=O)Nc2ccccc2N1C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C19H19N3O5/c1-3-27-18(24)16-17(23)21-14-6-4-5-7-15(14)22(16)19(25)20-12-8-10-13(26-2)11-9-12/h4-11,16H,3H2,1-2H3,(H,20,25)(H,21,23)
InChIKeyZBNNWMLFUXRRLH-UHFFFAOYSA-N
XLogP2.62
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze ethyl 1-[(4-methoxyphenyl)carbamoyl]-3-oxo-2,4-dihydroquinoxaline-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[2-(4-methoxyphenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methoxyphenyl)acetamide
CID 23793651
(6S)-N-(4-methoxyphenyl)-7-oxo-6-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepine-5-carboxamide
CID 40990409
N-(4-methoxyphenyl)-2-[1-[2-(4-methylphenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 23764661
N-(3,4-dimethylphenyl)-2-[(2R)-1-(4-methoxybenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 34311037
(2S)-3-oxo-2-propyl-N-pyridin-4-yl-2,4-dihydroquinoxaline-1-carboxamide
CID 177274192
N-(6-methyl-3-pyridinyl)-3-oxo-2-propyl-2,4-dihydroquinoxaline-1-carboxamide
CID 170320010
N-(4-methoxyphenyl)-2-[(2S)-1-(3-nitrobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 34307419
(6R,9R)-9-(furan-2-yl)-6-(2-methoxyphenyl)-N-(4-methoxyphenyl)-7-oxo-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepine-5-carboxamide
CID 98062856
(6R,9S)-9-(furan-2-yl)-6-(2-methoxyphenyl)-N-(4-methoxyphenyl)-7-oxo-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepine-5-carboxamide
CID 98062860
N-(4-ethoxyphenyl)-2-[1-[2-(4-fluorophenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 23797425
2-[(2R)-1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methoxyphenyl)acetamide
CID 41143525
ethyl 4-[[2-[(2R)-1-(4-chlorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetyl]amino]benzoate
CID 34316902

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(4-methoxyphenyl)carbamoyl]-3-oxo-2,4-dihydroquinoxaline-2-carboxylate?
The IUPAC name of ethyl 1-[(4-methoxyphenyl)carbamoyl]-3-oxo-2,4-dihydroquinoxaline-2-carboxylate (CID 10832867) is ethyl 1-[(4-methoxyphenyl)carbamoyl]-3-oxo-2,4-dihydroquinoxaline-2-carboxylate.
What is the SMILES notation for ethyl 1-[(4-methoxyphenyl)carbamoyl]-3-oxo-2,4-dihydroquinoxaline-2-carboxylate?
The canonical SMILES for ethyl 1-[(4-methoxyphenyl)carbamoyl]-3-oxo-2,4-dihydroquinoxaline-2-carboxylate is CCOC(=O)C1C(=O)Nc2ccccc2N1C(=O)Nc1ccc(OC)cc1.
What is the InChIKey of ethyl 1-[(4-methoxyphenyl)carbamoyl]-3-oxo-2,4-dihydroquinoxaline-2-carboxylate?
The InChIKey is ZBNNWMLFUXRRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-3-27-18(24)16-17(23)21-14-6-4-5-7-15(14)22(16)19(25)20-12-8-10-13(26-2)11-9-12/h4-11,16H,3H2,1-2H3,(H,20,25)(H,21,23).
What are the key properties of ethyl 1-[(4-methoxyphenyl)carbamoyl]-3-oxo-2,4-dihydroquinoxaline-2-carboxylate?
ethyl 1-[(4-methoxyphenyl)carbamoyl]-3-oxo-2,4-dihydroquinoxaline-2-carboxylate has a molecular weight of 369.38 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(4-methoxyphenyl)carbamoyl]-3-oxo-2,4-dihydroquinoxaline-2-carboxylate is sourced from PubChem (CID 10832867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).