ethyl 1-(4-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylate

C19H19NO4 — CID 654868

IUPACethyl 1-(4-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylate
SMILESCCOC(=O)c1cc2c(n(-c3ccc(C)cc3)c1=O)CCCC2=O
InChIInChI=1S/C19H19NO4/c1-3-24-19(23)15-11-14-16(5-4-6-17(14)21)20(18(15)22)13-9-7-12(2)8-10-13/h7-11H,3-6H2,1-2H3
InChIKeyKWKWLFYJSKPLJC-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.84
Rot. Bonds3

About ethyl 1-(4-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylate

ethyl 1-(4-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylate (PubChem CID 654868) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is ethyl 1-(4-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylate
PubChem CID654868
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Nameethyl 1-(4-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylate
SMILESCCOC(=O)c1cc2c(n(-c3ccc(C)cc3)c1=O)CCCC2=O
InChIInChI=1S/C19H19NO4/c1-3-24-19(23)15-11-14-16(5-4-6-17(14)21)20(18(15)22)13-9-7-12(2)8-10-13/h7-11H,3-6H2,1-2H3
InChIKeyKWKWLFYJSKPLJC-UHFFFAOYSA-N
XLogP2.84
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 1-(4-chlorophenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 5072317
Ethyl 2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 589276
6-(4-Dimethylamino-phenyl)-1-methyl-2-oxo-5-phenyl-1,2-dihydro-pyridine-3-carboxylic acid methyl ester
CID 11078961
methyl 1-benzyl-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylate
CID 44825784
Ethyl 7,7-dimethyl-2,5-dioxo-1-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 2852445
2,5-Dioxo-1-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid
CID 2053933
7,7-Dimethyl-1-(4-methylphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid
CID 652806
7,7-Dimethyl-2,5-dioxo-1-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid
CID 872009
Ethyl 1-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 14027158
3-Quinolinecarboxylic acid, 1,2-dihydro-1-methyl-4-((4-methylphenyl)amino)-2-oxo-, ethyl ester
CID 3058685
methyl 2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxylate
CID 24133424
ethyl 6-[4-(dimethylamino)phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate
CID 137647130

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylate?
The IUPAC name of ethyl 1-(4-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylate (CID 654868) is ethyl 1-(4-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 1-(4-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 1-(4-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylate is CCOC(=O)c1cc2c(n(-c3ccc(C)cc3)c1=O)CCCC2=O.
What is the InChIKey of ethyl 1-(4-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylate?
The InChIKey is KWKWLFYJSKPLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-3-24-19(23)15-11-14-16(5-4-6-17(14)21)20(18(15)22)13-9-7-12(2)8-10-13/h7-11H,3-6H2,1-2H3.
What are the key properties of ethyl 1-(4-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylate?
ethyl 1-(4-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylate has a molecular weight of 325.36 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylate is sourced from PubChem (CID 654868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).