ethyl 2-ethyl-3-oxo-1-propyl-4H-quinoxaline-2-carboxylate

C16H22N2O3 — CID 132559506

IUPACethyl 2-ethyl-3-oxo-1-propyl-4H-quinoxaline-2-carboxylate
SMILESCCCN1c2ccccc2NC(=O)C1(CC)C(=O)OCC
InChIInChI=1S/C16H22N2O3/c1-4-11-18-13-10-8-7-9-12(13)17-14(19)16(18,5-2)15(20)21-6-3/h7-10H,4-6,11H2,1-3H3,(H,17,19)
InChIKeyVEBHZIRJMDIXRF-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.57
Rot. Bonds5

About ethyl 2-ethyl-3-oxo-1-propyl-4H-quinoxaline-2-carboxylate

ethyl 2-ethyl-3-oxo-1-propyl-4H-quinoxaline-2-carboxylate (PubChem CID 132559506) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is ethyl 2-ethyl-3-oxo-1-propyl-4H-quinoxaline-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethyl-3-oxo-1-propyl-4H-quinoxaline-2-carboxylate
PubChem CID132559506
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Nameethyl 2-ethyl-3-oxo-1-propyl-4H-quinoxaline-2-carboxylate
SMILESCCCN1c2ccccc2NC(=O)C1(CC)C(=O)OCC
InChIInChI=1S/C16H22N2O3/c1-4-11-18-13-10-8-7-9-12(13)17-14(19)16(18,5-2)15(20)21-6-3/h7-10H,4-6,11H2,1-3H3,(H,17,19)
InChIKeyVEBHZIRJMDIXRF-UHFFFAOYSA-N
XLogP2.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1,2-bis(but-3-enyl)-3-oxo-4H-quinoxaline-2-carboxylate
CID 132559515
1-O-tert-butyl 3-O-ethyl 3-ethyl-2-oxo-4-propylquinoxaline-1,3-dicarboxylate
CID 132559511
ethyl 3-fluoro-2-oxo-1H-indole-3-carboxylate
CID 11195429
ethyl (4S)-4-hydroxy-3-methyl-2-oxo-1H-quinazoline-4-carboxylate
CID 744798
ethyl 3-fluoro-1-methyl-2-oxoindole-3-carboxylate
CID 135043371
ethyl (2Z)-2-(4-decyl-3-oxo-1H-quinoxalin-2-ylidene)acetate
CID 139052119
2,3-dipropyl-1H-benzimidazole-2-carbaldehyde
CID 175299731
diethyl 1-butyl-2-oxo-3H-quinoline-4,4-dicarboxylate
CID 135067401
ethane;ethyl 2-oxo-7b-[(E)-pent-1-enyl]-1,3-dihydrocyclopropa[c]quinoline-1a-carboxylate
CID 91087628
ethyl 1,3-dimethyl-2-methylideneindole-3-carboxylate
CID 22486115
ethyl 1-(hydroxymethyl)-2-methyl-3-oxoisoindole-1-carboxylate
CID 67470245
3,3,5-trimethyl-1H-1,5-benzodiazepine-2,4-dione;hydrochloride
CID 172764776

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-3-oxo-1-propyl-4H-quinoxaline-2-carboxylate?
The IUPAC name of ethyl 2-ethyl-3-oxo-1-propyl-4H-quinoxaline-2-carboxylate (CID 132559506) is ethyl 2-ethyl-3-oxo-1-propyl-4H-quinoxaline-2-carboxylate.
What is the SMILES notation for ethyl 2-ethyl-3-oxo-1-propyl-4H-quinoxaline-2-carboxylate?
The canonical SMILES for ethyl 2-ethyl-3-oxo-1-propyl-4H-quinoxaline-2-carboxylate is CCCN1c2ccccc2NC(=O)C1(CC)C(=O)OCC.
What is the InChIKey of ethyl 2-ethyl-3-oxo-1-propyl-4H-quinoxaline-2-carboxylate?
The InChIKey is VEBHZIRJMDIXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-4-11-18-13-10-8-7-9-12(13)17-14(19)16(18,5-2)15(20)21-6-3/h7-10H,4-6,11H2,1-3H3,(H,17,19).
What are the key properties of ethyl 2-ethyl-3-oxo-1-propyl-4H-quinoxaline-2-carboxylate?
ethyl 2-ethyl-3-oxo-1-propyl-4H-quinoxaline-2-carboxylate has a molecular weight of 290.36 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-3-oxo-1-propyl-4H-quinoxaline-2-carboxylate is sourced from PubChem (CID 132559506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).