methyl 4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate

C11H13NO3 — CID 58902805

IUPACmethyl 4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate
SMILESCOC(=O)c1cc(=O)c2c([nH]1)CCCC2
InChIInChI=1S/C11H13NO3/c1-15-11(14)9-6-10(13)7-4-2-3-5-8(7)12-9/h6H,2-5H2,1H3,(H,12,13)
InChIKeyYROOQCZWMUZUCA-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.04
Rot. Bonds1

About methyl 4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate

methyl 4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate (PubChem CID 58902805) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is methyl 4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate
PubChem CID58902805
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Namemethyl 4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate
SMILESCOC(=O)c1cc(=O)c2c([nH]1)CCCC2
InChIInChI=1S/C11H13NO3/c1-15-11(14)9-6-10(13)7-4-2-3-5-8(7)12-9/h6H,2-5H2,1H3,(H,12,13)
InChIKeyYROOQCZWMUZUCA-UHFFFAOYSA-N
XLogP1.04
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate?
The IUPAC name of methyl 4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate (CID 58902805) is methyl 4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate.
What is the SMILES notation for methyl 4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate?
The canonical SMILES for methyl 4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate is COC(=O)c1cc(=O)c2c([nH]1)CCCC2.
What is the InChIKey of methyl 4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate?
The InChIKey is YROOQCZWMUZUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-15-11(14)9-6-10(13)7-4-2-3-5-8(7)12-9/h6H,2-5H2,1H3,(H,12,13).
What are the key properties of methyl 4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate?
methyl 4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate has a molecular weight of 207.23 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate is sourced from PubChem (CID 58902805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).