methyl 8-methoxy-4-oxo-1H-quinoline-2-carboxylate

C12H11NO4 — CID 2801536

IUPACmethyl 8-methoxy-4-oxo-1H-quinoline-2-carboxylate
SMILESCOC(=O)c1cc(=O)c2cccc(OC)c2[nH]1
InChIInChI=1S/C12H11NO4/c1-16-10-5-3-4-7-9(14)6-8(12(15)17-2)13-11(7)10/h3-6H,1-2H3,(H,13,14)
InChIKeyJFWIAQNNAPXWLS-UHFFFAOYSA-N
MW233.22 g/mol
LogP1.32
Rot. Bonds2

About methyl 8-methoxy-4-oxo-1H-quinoline-2-carboxylate

methyl 8-methoxy-4-oxo-1H-quinoline-2-carboxylate (PubChem CID 2801536) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is methyl 8-methoxy-4-oxo-1H-quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 8-methoxy-4-oxo-1H-quinoline-2-carboxylate
PubChem CID2801536
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Namemethyl 8-methoxy-4-oxo-1H-quinoline-2-carboxylate
SMILESCOC(=O)c1cc(=O)c2cccc(OC)c2[nH]1
InChIInChI=1S/C12H11NO4/c1-16-10-5-3-4-7-9(14)6-8(12(15)17-2)13-11(7)10/h3-6H,1-2H3,(H,13,14)
InChIKeyJFWIAQNNAPXWLS-UHFFFAOYSA-N
XLogP1.32
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 8-methoxy-4-oxo-1H-quinoline-2-carboxylate?
The IUPAC name of methyl 8-methoxy-4-oxo-1H-quinoline-2-carboxylate (CID 2801536) is methyl 8-methoxy-4-oxo-1H-quinoline-2-carboxylate.
What is the SMILES notation for methyl 8-methoxy-4-oxo-1H-quinoline-2-carboxylate?
The canonical SMILES for methyl 8-methoxy-4-oxo-1H-quinoline-2-carboxylate is COC(=O)c1cc(=O)c2cccc(OC)c2[nH]1.
What is the InChIKey of methyl 8-methoxy-4-oxo-1H-quinoline-2-carboxylate?
The InChIKey is JFWIAQNNAPXWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c1-16-10-5-3-4-7-9(14)6-8(12(15)17-2)13-11(7)10/h3-6H,1-2H3,(H,13,14).
What are the key properties of methyl 8-methoxy-4-oxo-1H-quinoline-2-carboxylate?
methyl 8-methoxy-4-oxo-1H-quinoline-2-carboxylate has a molecular weight of 233.22 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-methoxy-4-oxo-1H-quinoline-2-carboxylate is sourced from PubChem (CID 2801536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).