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'}

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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).