methyl 6-oxo-7,8-dihydro-5H-quinoline-2-carboxylate

C11H11NO3 — CID 135395002

IUPACmethyl 6-oxo-7,8-dihydro-5H-quinoline-2-carboxylate
SMILESCOC(=O)c1ccc2c(n1)CCC(=O)C2
InChIInChI=1S/C11H11NO3/c1-15-11(14)10-4-2-7-6-8(13)3-5-9(7)12-10/h2,4H,3,5-6H2,1H3
InChIKeyDJICRTDFIQZSGG-UHFFFAOYSA-N
MW205.21 g/mol
LogP0.93
Rot. Bonds1

About methyl 6-oxo-7,8-dihydro-5H-quinoline-2-carboxylate

methyl 6-oxo-7,8-dihydro-5H-quinoline-2-carboxylate (PubChem CID 135395002) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is methyl 6-oxo-7,8-dihydro-5H-quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-oxo-7,8-dihydro-5H-quinoline-2-carboxylate
PubChem CID135395002
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Namemethyl 6-oxo-7,8-dihydro-5H-quinoline-2-carboxylate
SMILESCOC(=O)c1ccc2c(n1)CCC(=O)C2
InChIInChI=1S/C11H11NO3/c1-15-11(14)10-4-2-7-6-8(13)3-5-9(7)12-10/h2,4H,3,5-6H2,1H3
InChIKeyDJICRTDFIQZSGG-UHFFFAOYSA-N
XLogP0.93
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 6-oxo-7,8-dihydro-5H-quinoline-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 6-oxo-7,8-dihydro-5H-quinoline-2-carboxylate?
The IUPAC name of methyl 6-oxo-7,8-dihydro-5H-quinoline-2-carboxylate (CID 135395002) is methyl 6-oxo-7,8-dihydro-5H-quinoline-2-carboxylate.
What is the SMILES notation for methyl 6-oxo-7,8-dihydro-5H-quinoline-2-carboxylate?
The canonical SMILES for methyl 6-oxo-7,8-dihydro-5H-quinoline-2-carboxylate is COC(=O)c1ccc2c(n1)CCC(=O)C2.
What is the InChIKey of methyl 6-oxo-7,8-dihydro-5H-quinoline-2-carboxylate?
The InChIKey is DJICRTDFIQZSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-15-11(14)10-4-2-7-6-8(13)3-5-9(7)12-10/h2,4H,3,5-6H2,1H3.
What are the key properties of methyl 6-oxo-7,8-dihydro-5H-quinoline-2-carboxylate?
methyl 6-oxo-7,8-dihydro-5H-quinoline-2-carboxylate has a molecular weight of 205.21 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-oxo-7,8-dihydro-5H-quinoline-2-carboxylate is sourced from PubChem (CID 135395002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).