ethyl 1-methyl-4-oxo-2,3-dihydroquinoline-8-carboxylate

C13H15NO3 — CID 134348471

IUPACethyl 1-methyl-4-oxo-2,3-dihydroquinoline-8-carboxylate
SMILESCCOC(=O)c1cccc2c1N(C)CCC2=O
InChIInChI=1S/C13H15NO3/c1-3-17-13(16)10-6-4-5-9-11(15)7-8-14(2)12(9)10/h4-6H,3,7-8H2,1-2H3
InChIKeyABUVWVMAQJNENV-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.89
Rot. Bonds2

About ethyl 1-methyl-4-oxo-2,3-dihydroquinoline-8-carboxylate

ethyl 1-methyl-4-oxo-2,3-dihydroquinoline-8-carboxylate (PubChem CID 134348471) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is ethyl 1-methyl-4-oxo-2,3-dihydroquinoline-8-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-4-oxo-2,3-dihydroquinoline-8-carboxylate
PubChem CID134348471
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Nameethyl 1-methyl-4-oxo-2,3-dihydroquinoline-8-carboxylate
SMILESCCOC(=O)c1cccc2c1N(C)CCC2=O
InChIInChI=1S/C13H15NO3/c1-3-17-13(16)10-6-4-5-9-11(15)7-8-14(2)12(9)10/h4-6H,3,7-8H2,1-2H3
InChIKeyABUVWVMAQJNENV-UHFFFAOYSA-N
XLogP1.89
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-4-oxo-2,3-dihydroquinoline-8-carboxylate?
The IUPAC name of ethyl 1-methyl-4-oxo-2,3-dihydroquinoline-8-carboxylate (CID 134348471) is ethyl 1-methyl-4-oxo-2,3-dihydroquinoline-8-carboxylate.
What is the SMILES notation for ethyl 1-methyl-4-oxo-2,3-dihydroquinoline-8-carboxylate?
The canonical SMILES for ethyl 1-methyl-4-oxo-2,3-dihydroquinoline-8-carboxylate is CCOC(=O)c1cccc2c1N(C)CCC2=O.
What is the InChIKey of ethyl 1-methyl-4-oxo-2,3-dihydroquinoline-8-carboxylate?
The InChIKey is ABUVWVMAQJNENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-3-17-13(16)10-6-4-5-9-11(15)7-8-14(2)12(9)10/h4-6H,3,7-8H2,1-2H3.
What are the key properties of ethyl 1-methyl-4-oxo-2,3-dihydroquinoline-8-carboxylate?
ethyl 1-methyl-4-oxo-2,3-dihydroquinoline-8-carboxylate has a molecular weight of 233.27 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-4-oxo-2,3-dihydroquinoline-8-carboxylate is sourced from PubChem (CID 134348471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).