ethyl 8-methoxy-4-oxo-2,3-dihydro-1H-quinoline-3-carboxylate

C13H15NO4 — CID 141043636

IUPACethyl 8-methoxy-4-oxo-2,3-dihydro-1H-quinoline-3-carboxylate
SMILESCCOC(=O)C1CNc2c(OC)cccc2C1=O
InChIInChI=1S/C13H15NO4/c1-3-18-13(16)9-7-14-11-8(12(9)15)5-4-6-10(11)17-2/h4-6,9,14H,3,7H2,1-2H3
InChIKeySWWWYCRRFLENLO-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.48
Rot. Bonds3

About ethyl 8-methoxy-4-oxo-2,3-dihydro-1H-quinoline-3-carboxylate

ethyl 8-methoxy-4-oxo-2,3-dihydro-1H-quinoline-3-carboxylate (PubChem CID 141043636) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is ethyl 8-methoxy-4-oxo-2,3-dihydro-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-methoxy-4-oxo-2,3-dihydro-1H-quinoline-3-carboxylate
PubChem CID141043636
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Nameethyl 8-methoxy-4-oxo-2,3-dihydro-1H-quinoline-3-carboxylate
SMILESCCOC(=O)C1CNc2c(OC)cccc2C1=O
InChIInChI=1S/C13H15NO4/c1-3-18-13(16)9-7-14-11-8(12(9)15)5-4-6-10(11)17-2/h4-6,9,14H,3,7H2,1-2H3
InChIKeySWWWYCRRFLENLO-UHFFFAOYSA-N
XLogP1.48
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 92522808
ethyl 8'-methoxy-4'-oxospiro[cyclopropane-2,1'-naphthalene]-1-carboxylate
CID 102304288
diethyl (6R,8S)-4-methoxy-7-oxo-5,6,8,9-tetrahydrobenzo[7]annulene-6,8-dicarboxylate
CID 124566665
ethyl 2,5-dioxo-3,4-dihydro-1H-1-benzazepine-4-carboxylate
CID 25272250
ethyl (3S)-2,3-dihydro-1H-indole-3-carboxylate;hydrochloride
CID 172907953
ethyl 9-chloro-5-oxo-3,4-dihydro-2H-1-benzoxepine-4-carboxylate
CID 70121974
ethyl 1-oxo-4-phenyl-3,4-dihydro-2H-naphthalene-2-carboxylate
CID 102165448
ethyl 4-(4-methoxyphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 91523541
ethyl 5,6-diethoxy-3-oxo-1,2-dihydroindene-2-carboxylate
CID 21191717
ethyl 5-[tert-butyl(diphenyl)silyl]oxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carboxylate
CID 54011243
ethyl (1R,6R)-4-(2-methoxyphenyl)-6-(3-methylphenyl)-2-oxocyclohex-3-ene-1-carboxylate
CID 124846593
ethyl (4R)-4-(2,3-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 818245

Frequently Asked Questions

What is the IUPAC name of ethyl 8-methoxy-4-oxo-2,3-dihydro-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 8-methoxy-4-oxo-2,3-dihydro-1H-quinoline-3-carboxylate (CID 141043636) is ethyl 8-methoxy-4-oxo-2,3-dihydro-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 8-methoxy-4-oxo-2,3-dihydro-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 8-methoxy-4-oxo-2,3-dihydro-1H-quinoline-3-carboxylate is CCOC(=O)C1CNc2c(OC)cccc2C1=O.
What is the InChIKey of ethyl 8-methoxy-4-oxo-2,3-dihydro-1H-quinoline-3-carboxylate?
The InChIKey is SWWWYCRRFLENLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-3-18-13(16)9-7-14-11-8(12(9)15)5-4-6-10(11)17-2/h4-6,9,14H,3,7H2,1-2H3.
What are the key properties of ethyl 8-methoxy-4-oxo-2,3-dihydro-1H-quinoline-3-carboxylate?
ethyl 8-methoxy-4-oxo-2,3-dihydro-1H-quinoline-3-carboxylate has a molecular weight of 249.27 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-methoxy-4-oxo-2,3-dihydro-1H-quinoline-3-carboxylate is sourced from PubChem (CID 141043636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).