methyl 3-methyl-2-oxo-1H-quinoline-4-carboxylate

C12H11NO3 — CID 751540

IUPACmethyl 3-methyl-2-oxo-1H-quinoline-4-carboxylate
SMILESCOC(=O)c1c(C)c(=O)[nH]c2ccccc12
InChIInChI=1S/C12H11NO3/c1-7-10(12(15)16-2)8-5-3-4-6-9(8)13-11(7)14/h3-6H,1-2H3,(H,13,14)
InChIKeyZNCUPPCJISULRA-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.62
Rot. Bonds1

About methyl 3-methyl-2-oxo-1H-quinoline-4-carboxylate

methyl 3-methyl-2-oxo-1H-quinoline-4-carboxylate (PubChem CID 751540) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is methyl 3-methyl-2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-2-oxo-1H-quinoline-4-carboxylate
PubChem CID751540
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Namemethyl 3-methyl-2-oxo-1H-quinoline-4-carboxylate
SMILESCOC(=O)c1c(C)c(=O)[nH]c2ccccc12
InChIInChI=1S/C12H11NO3/c1-7-10(12(15)16-2)8-5-3-4-6-9(8)13-11(7)14/h3-6H,1-2H3,(H,13,14)
InChIKeyZNCUPPCJISULRA-UHFFFAOYSA-N
XLogP1.62
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of methyl 3-methyl-2-oxo-1H-quinoline-4-carboxylate (CID 751540) is methyl 3-methyl-2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for methyl 3-methyl-2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for methyl 3-methyl-2-oxo-1H-quinoline-4-carboxylate is COC(=O)c1c(C)c(=O)[nH]c2ccccc12.
What is the InChIKey of methyl 3-methyl-2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is ZNCUPPCJISULRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-7-10(12(15)16-2)8-5-3-4-6-9(8)13-11(7)14/h3-6H,1-2H3,(H,13,14).
What are the key properties of methyl 3-methyl-2-oxo-1H-quinoline-4-carboxylate?
methyl 3-methyl-2-oxo-1H-quinoline-4-carboxylate has a molecular weight of 217.22 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 751540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).