methyl 5-methoxy-8-methyl-4-oxo-1H-quinoline-2-carboxylate

C13H13NO4 — CID 114252907

IUPACmethyl 5-methoxy-8-methyl-4-oxo-1H-quinoline-2-carboxylate
SMILESCOC(=O)c1cc(=O)c2c(OC)ccc(C)c2[nH]1
InChIInChI=1S/C13H13NO4/c1-7-4-5-10(17-2)11-9(15)6-8(13(16)18-3)14-12(7)11/h4-6H,1-3H3,(H,14,15)
InChIKeyJIJIZUZWLRSNLR-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.63
Rot. Bonds2

About methyl 5-methoxy-8-methyl-4-oxo-1H-quinoline-2-carboxylate

methyl 5-methoxy-8-methyl-4-oxo-1H-quinoline-2-carboxylate (PubChem CID 114252907) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is methyl 5-methoxy-8-methyl-4-oxo-1H-quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-methoxy-8-methyl-4-oxo-1H-quinoline-2-carboxylate
PubChem CID114252907
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Namemethyl 5-methoxy-8-methyl-4-oxo-1H-quinoline-2-carboxylate
SMILESCOC(=O)c1cc(=O)c2c(OC)ccc(C)c2[nH]1
InChIInChI=1S/C13H13NO4/c1-7-4-5-10(17-2)11-9(15)6-8(13(16)18-3)14-12(7)11/h4-6H,1-3H3,(H,14,15)
InChIKeyJIJIZUZWLRSNLR-UHFFFAOYSA-N
XLogP1.63
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-fluoro-6-methoxy-4-oxo-1H-quinoline-2-carboxylate
CID 131850530
3-methoxy-6,9-dimethyl-1H-1-benzazepine-2,5-dione
CID 10704674
methyl 6,8-dimethoxy-4-oxo-1H-quinoline-2-carboxylate
CID 53419693
methyl 7-bromo-4-methoxy-1H-indole-2-carboxylate
CID 7141912
methyl 7-methyl-4-propan-2-yl-1H-indole-2-carboxylate
CID 54101647
methyl 5-chloro-8-fluoro-4-oxo-1H-quinoline-2-carboxylate
CID 63376397
8-methoxy-5-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]-1H-quinoline-2-carboxamide
CID 162540354
8-methoxy-5-methyl-4-oxo-N-[4-(3,4,5-trifluorophenyl)phenyl]-1H-quinoline-2-carboxamide
CID 162540369
dimethyl 7-methoxy-4-methyl-1H-indole-2,5-dicarboxylate
CID 10660138
8-methoxy-5-methyl-2-[4-(2-methylbenzoyl)piperazine-1-carbonyl]-1H-quinolin-4-one
CID 162540366
2-O-ethyl 5-O-methyl 8-fluoro-4-oxo-1H-quinoline-2,5-dicarboxylate
CID 58959693
8-methoxy-5-methyl-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinoline-2-carboxamide
CID 162540358

Frequently Asked Questions

What is the IUPAC name of methyl 5-methoxy-8-methyl-4-oxo-1H-quinoline-2-carboxylate?
The IUPAC name of methyl 5-methoxy-8-methyl-4-oxo-1H-quinoline-2-carboxylate (CID 114252907) is methyl 5-methoxy-8-methyl-4-oxo-1H-quinoline-2-carboxylate.
What is the SMILES notation for methyl 5-methoxy-8-methyl-4-oxo-1H-quinoline-2-carboxylate?
The canonical SMILES for methyl 5-methoxy-8-methyl-4-oxo-1H-quinoline-2-carboxylate is COC(=O)c1cc(=O)c2c(OC)ccc(C)c2[nH]1.
What is the InChIKey of methyl 5-methoxy-8-methyl-4-oxo-1H-quinoline-2-carboxylate?
The InChIKey is JIJIZUZWLRSNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-7-4-5-10(17-2)11-9(15)6-8(13(16)18-3)14-12(7)11/h4-6H,1-3H3,(H,14,15).
What are the key properties of methyl 5-methoxy-8-methyl-4-oxo-1H-quinoline-2-carboxylate?
methyl 5-methoxy-8-methyl-4-oxo-1H-quinoline-2-carboxylate has a molecular weight of 247.25 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methoxy-8-methyl-4-oxo-1H-quinoline-2-carboxylate is sourced from PubChem (CID 114252907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).