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

C18H16ClNO4 — CID 5072317

IUPACethyl 1-(4-chlorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylate
SMILESCCOC(=O)c1cc2c(n(-c3ccc(Cl)cc3)c1=O)CCCC2=O
InChIInChI=1S/C18H16ClNO4/c1-2-24-18(23)14-10-13-15(4-3-5-16(13)21)20(17(14)22)12-8-6-11(19)7-9-12/h6-10H,2-5H2,1H3
InChIKeySOSMNDPLNAADOJ-UHFFFAOYSA-N
MW345.78 g/mol
LogP3.19
Rot. Bonds3

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

ethyl 1-(4-chlorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylate (PubChem CID 5072317) 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-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-chlorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylate
PubChem CID5072317
Molecular FormulaC18H16ClNO4
Molecular Weight345.78 g/mol
Exact Mass345.08
IUPAC Nameethyl 1-(4-chlorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylate
SMILESCCOC(=O)c1cc2c(n(-c3ccc(Cl)cc3)c1=O)CCCC2=O
InChIInChI=1S/C18H16ClNO4/c1-2-24-18(23)14-10-13-15(4-3-5-16(13)21)20(17(14)22)12-8-6-11(19)7-9-12/h6-10H,2-5H2,1H3
InChIKeySOSMNDPLNAADOJ-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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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-chlorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylate?
The IUPAC name of ethyl 1-(4-chlorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylate (CID 5072317) is ethyl 1-(4-chlorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 1-(4-chlorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 1-(4-chlorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylate is CCOC(=O)c1cc2c(n(-c3ccc(Cl)cc3)c1=O)CCCC2=O.
What is the InChIKey of ethyl 1-(4-chlorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylate?
The InChIKey is SOSMNDPLNAADOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO4/c1-2-24-18(23)14-10-13-15(4-3-5-16(13)21)20(17(14)22)12-8-6-11(19)7-9-12/h6-10H,2-5H2,1H3.
What are the key properties of ethyl 1-(4-chlorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylate?
ethyl 1-(4-chlorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-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-3-carboxylate is sourced from PubChem (CID 5072317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).