methyl 2-oxo-4aH-quinoline-5-carboxylate

C11H9NO3 — CID 85440433

IUPACmethyl 2-oxo-4aH-quinoline-5-carboxylate
SMILESCOC(=O)C1=CC=CC2=NC(=O)C=CC12
InChIInChI=1S/C11H9NO3/c1-15-11(14)8-3-2-4-9-7(8)5-6-10(13)12-9/h2-7H,1H3
InChIKeyOARRCRKQGPDZCM-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.81
Rot. Bonds1

About methyl 2-oxo-4aH-quinoline-5-carboxylate

methyl 2-oxo-4aH-quinoline-5-carboxylate (PubChem CID 85440433) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is methyl 2-oxo-4aH-quinoline-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-oxo-4aH-quinoline-5-carboxylate
PubChem CID85440433
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Namemethyl 2-oxo-4aH-quinoline-5-carboxylate
SMILESCOC(=O)C1=CC=CC2=NC(=O)C=CC12
InChIInChI=1S/C11H9NO3/c1-15-11(14)8-3-2-4-9-7(8)5-6-10(13)12-9/h2-7H,1H3
InChIKeyOARRCRKQGPDZCM-UHFFFAOYSA-N
XLogP0.81
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-fluoro-8H-3,1-benzoxazine-2,4-dione
CID 71302988
methyl 2-methylidene-6H-quinolin-6-ylium-4-carboxylate
CID 142143458
Methyl 3-propyl-2,3-dihydroquinoline-8-carboxylate
CID 170194999
methyl 3-methyl-2-oxo-3H-quinoline-4-carboxylate
CID 24871016
6-Methyl-8-methylidene-3,1-benzoxazine-2,4-dione
CID 71302883
8-Methylidene-3,1-benzoxazine-2,4-dione
CID 71303010
6-methyl-2-oxo-4aH-quinoline-4-carboxylic acid
CID 71650455
methyl 2-oxo-4aH-quinoline-4-carboxylate
CID 72207841
ethyl 2-oxo-4aH-quinoline-7-carboxylate
CID 72744845
2-oxo-4aH-quinoline-5-carboxylic acid
CID 73179433
methyl 3-methyl-2-oxo-4aH-quinoline-7-carboxylate
CID 74017935
2-oxo-4aH-quinoline-4-carboxylic acid;hydrate
CID 74315819

Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-4aH-quinoline-5-carboxylate?
The IUPAC name of methyl 2-oxo-4aH-quinoline-5-carboxylate (CID 85440433) is methyl 2-oxo-4aH-quinoline-5-carboxylate.
What is the SMILES notation for methyl 2-oxo-4aH-quinoline-5-carboxylate?
The canonical SMILES for methyl 2-oxo-4aH-quinoline-5-carboxylate is COC(=O)C1=CC=CC2=NC(=O)C=CC12.
What is the InChIKey of methyl 2-oxo-4aH-quinoline-5-carboxylate?
The InChIKey is OARRCRKQGPDZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-15-11(14)8-3-2-4-9-7(8)5-6-10(13)12-9/h2-7H,1H3.
What are the key properties of methyl 2-oxo-4aH-quinoline-5-carboxylate?
methyl 2-oxo-4aH-quinoline-5-carboxylate has a molecular weight of 203.20 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-4aH-quinoline-5-carboxylate is sourced from PubChem (CID 85440433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).