ethyl 2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxylate

C18H17NO4 — CID 743628

IUPACethyl 2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxylate
SMILESCCOC(=O)c1cc2c(n(-c3ccccc3)c1=O)CCCC2=O
InChIInChI=1S/C18H17NO4/c1-2-23-18(22)14-11-13-15(9-6-10-16(13)20)19(17(14)21)12-7-4-3-5-8-12/h3-5,7-8,11H,2,6,9-10H2,1H3
InChIKeyLAQLKPKJSAOYQO-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.53
Rot. Bonds3

About ethyl 2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxylate

ethyl 2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxylate (PubChem CID 743628) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is ethyl 2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxylate
PubChem CID743628
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Nameethyl 2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxylate
SMILESCCOC(=O)c1cc2c(n(-c3ccccc3)c1=O)CCCC2=O
InChIInChI=1S/C18H17NO4/c1-2-23-18(22)14-11-13-15(9-6-10-16(13)20)19(17(14)21)12-7-4-3-5-8-12/h3-5,7-8,11H,2,6,9-10H2,1H3
InChIKeyLAQLKPKJSAOYQO-UHFFFAOYSA-N
XLogP2.53
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxylate?
The IUPAC name of ethyl 2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxylate (CID 743628) is ethyl 2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxylate is CCOC(=O)c1cc2c(n(-c3ccccc3)c1=O)CCCC2=O.
What is the InChIKey of ethyl 2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxylate?
The InChIKey is LAQLKPKJSAOYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-2-23-18(22)14-11-13-15(9-6-10-16(13)20)19(17(14)21)12-7-4-3-5-8-12/h3-5,7-8,11H,2,6,9-10H2,1H3.
What are the key properties of ethyl 2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxylate?
ethyl 2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxylate has a molecular weight of 311.34 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxylate is sourced from PubChem (CID 743628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).