ethyl 4-oxo-5-propan-2-yl-1H-quinoline-2-carboxylate

C15H17NO3 — CID 19735183

IUPACethyl 4-oxo-5-propan-2-yl-1H-quinoline-2-carboxylate
SMILESCCOC(=O)c1cc(=O)c2c(C(C)C)cccc2[nH]1
InChIInChI=1S/C15H17NO3/c1-4-19-15(18)12-8-13(17)14-10(9(2)3)6-5-7-11(14)16-12/h5-9H,4H2,1-3H3,(H,16,17)
InChIKeyNZYXQSLTAPHHLC-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.83
Rot. Bonds3

About ethyl 4-oxo-5-propan-2-yl-1H-quinoline-2-carboxylate

ethyl 4-oxo-5-propan-2-yl-1H-quinoline-2-carboxylate (PubChem CID 19735183) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is ethyl 4-oxo-5-propan-2-yl-1H-quinoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxo-5-propan-2-yl-1H-quinoline-2-carboxylate
PubChem CID19735183
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Nameethyl 4-oxo-5-propan-2-yl-1H-quinoline-2-carboxylate
SMILESCCOC(=O)c1cc(=O)c2c(C(C)C)cccc2[nH]1
InChIInChI=1S/C15H17NO3/c1-4-19-15(18)12-8-13(17)14-10(9(2)3)6-5-7-11(14)16-12/h5-9H,4H2,1-3H3,(H,16,17)
InChIKeyNZYXQSLTAPHHLC-UHFFFAOYSA-N
XLogP2.83
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-oxo-2-(2-propan-2-ylanilino)ethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7504252
ethyl 7-chloro-5-ethyl-4-oxo-1H-quinoline-2-carboxylate
CID 19735198
ethyl 7-bromo-5-ethyl-4-oxo-1H-quinoline-2-carboxylate
CID 19735211
diethyl 3,6-dihydropyrrolo[3,2-e]indole-2,7-dicarboxylate
CID 12643444
ethane;ethyl 1H-indole-2-carboxylate
CID 91376411
ethyl 6-fluoro-4-oxo-1H-quinoline-2-carboxylate
CID 22425219
ethyl 1,2,5-trimethyl-9-oxo-3,6-dihydropyrrolo[3,2-f]quinoline-7-carboxylate
CID 91735958
diethyl 1,7-dihydropyrrolo[3,2-f]indole-2,6-dicarboxylate
CID 12575837
ethyl 4,7-dioxo-1H-indole-2-carboxylate
CID 15357934
ethyl 5-tert-butyl-1H-indole-2-carboxylate
CID 4714960
ethyl 5-methyl-1-oxo-2H-isoquinoline-3-carboxylate
CID 165441491
ethyl 5-methyl-3-propan-2-yl-1H-pyrrole-2-carboxylate
CID 14657234

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-5-propan-2-yl-1H-quinoline-2-carboxylate?
The IUPAC name of ethyl 4-oxo-5-propan-2-yl-1H-quinoline-2-carboxylate (CID 19735183) is ethyl 4-oxo-5-propan-2-yl-1H-quinoline-2-carboxylate.
What is the SMILES notation for ethyl 4-oxo-5-propan-2-yl-1H-quinoline-2-carboxylate?
The canonical SMILES for ethyl 4-oxo-5-propan-2-yl-1H-quinoline-2-carboxylate is CCOC(=O)c1cc(=O)c2c(C(C)C)cccc2[nH]1.
What is the InChIKey of ethyl 4-oxo-5-propan-2-yl-1H-quinoline-2-carboxylate?
The InChIKey is NZYXQSLTAPHHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-4-19-15(18)12-8-13(17)14-10(9(2)3)6-5-7-11(14)16-12/h5-9H,4H2,1-3H3,(H,16,17).
What are the key properties of ethyl 4-oxo-5-propan-2-yl-1H-quinoline-2-carboxylate?
ethyl 4-oxo-5-propan-2-yl-1H-quinoline-2-carboxylate has a molecular weight of 259.30 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-5-propan-2-yl-1H-quinoline-2-carboxylate is sourced from PubChem (CID 19735183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).