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

C18H16ClNO4 — CID 102367447

IUPACethyl 1-(4-chlorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-4-carboxylate
SMILESCCOC(=O)c1cc(=O)n(-c2ccc(Cl)cc2)c2c1C(=O)CCC2
InChIInChI=1S/C18H16ClNO4/c1-2-24-18(23)13-10-16(22)20(12-8-6-11(19)7-9-12)14-4-3-5-15(21)17(13)14/h6-10H,2-5H2,1H3
InChIKeyPBOUGBQNTAYMDC-UHFFFAOYSA-N
MW345.78 g/mol
LogP3.19
Rot. Bonds3

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

ethyl 1-(4-chlorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-4-carboxylate (PubChem CID 102367447) has the molecular formula C18H16ClNO4 and a molecular weight of 345.78 g/mol. Its IUPAC name is ethyl 1-(4-chlorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-chlorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-4-carboxylate
PubChem CID102367447
Molecular FormulaC18H16ClNO4
Molecular Weight345.78 g/mol
Exact Mass345.08
IUPAC Nameethyl 1-(4-chlorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-4-carboxylate
SMILESCCOC(=O)c1cc(=O)n(-c2ccc(Cl)cc2)c2c1C(=O)CCC2
InChIInChI=1S/C18H16ClNO4/c1-2-24-18(23)13-10-16(22)20(12-8-6-11(19)7-9-12)14-4-3-5-15(21)17(13)14/h6-10H,2-5H2,1H3
InChIKeyPBOUGBQNTAYMDC-UHFFFAOYSA-N
XLogP3.19
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.78
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(4-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-4-carboxylate
CID 102367438
ethyl 1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate
CID 97036567
ethyl 3-(4-chlorophenyl)-2,5-dimethylimidazole-4-carboxylate
CID 164852991
ethyl 7-fluoro-1-oxo-2,3-dihydroindene-4-carboxylate
CID 135338938
diethyl 4-chlorobenzene-1,2-dicarboxylate
CID 14910056
ethyl 3,5-dichloro-2-methylbenzoate
CID 82883321
ethyl 3,5-dichloro-2-iodobenzoate
CID 75361260
diethyl 4,5-dichlorobenzene-1,2-dicarboxylate
CID 10517655
ethyl 1-(3-chloro-4-fluorophenyl)-5-methylpyrazole-4-carboxylate
CID 83401193
ethyl 1-(4-chlorophenyl)-4-oxo-1,3-diazaspiro[4.5]decane-3-carboxylate
CID 123841281
ethyl 1-[(E)-3-bromoprop-2-enyl]-4,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylate
CID 59627848
ethyl 7-(4-chlorophenyl)-2-oxo-5,6-dihydro-1H-pyrazolo[5,4-h]quinoline-3-carboxylate
CID 122190666

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-chlorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-4-carboxylate?
The IUPAC name of ethyl 1-(4-chlorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-4-carboxylate (CID 102367447) is ethyl 1-(4-chlorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-4-carboxylate.
What is the SMILES notation for ethyl 1-(4-chlorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-4-carboxylate?
The canonical SMILES for ethyl 1-(4-chlorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-4-carboxylate is CCOC(=O)c1cc(=O)n(-c2ccc(Cl)cc2)c2c1C(=O)CCC2.
What is the InChIKey of ethyl 1-(4-chlorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-4-carboxylate?
The InChIKey is PBOUGBQNTAYMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO4/c1-2-24-18(23)13-10-16(22)20(12-8-6-11(19)7-9-12)14-4-3-5-15(21)17(13)14/h6-10H,2-5H2,1H3.
What are the key properties of ethyl 1-(4-chlorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-4-carboxylate?
ethyl 1-(4-chlorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-4-carboxylate has a molecular weight of 345.78 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-chlorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-4-carboxylate is sourced from PubChem (CID 102367447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).