methyl 2-(5-methoxy-4-oxo-1H-quinolin-2-yl)acetate

C13H13NO4 — CID 54542343

IUPACmethyl 2-(5-methoxy-4-oxo-1H-quinolin-2-yl)acetate
SMILESCOC(=O)Cc1cc(=O)c2c(OC)cccc2[nH]1
InChIInChI=1S/C13H13NO4/c1-17-11-5-3-4-9-13(11)10(15)6-8(14-9)7-12(16)18-2/h3-6H,7H2,1-2H3,(H,14,15)
InChIKeyZECPZSSLHSWKFD-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.25
Rot. Bonds3

About methyl 2-(5-methoxy-4-oxo-1H-quinolin-2-yl)acetate

methyl 2-(5-methoxy-4-oxo-1H-quinolin-2-yl)acetate (PubChem CID 54542343) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is methyl 2-(5-methoxy-4-oxo-1H-quinolin-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-methoxy-4-oxo-1H-quinolin-2-yl)acetate
PubChem CID54542343
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Namemethyl 2-(5-methoxy-4-oxo-1H-quinolin-2-yl)acetate
SMILESCOC(=O)Cc1cc(=O)c2c(OC)cccc2[nH]1
InChIInChI=1S/C13H13NO4/c1-17-11-5-3-4-9-13(11)10(15)6-8(14-9)7-12(16)18-2/h3-6H,7H2,1-2H3,(H,14,15)
InChIKeyZECPZSSLHSWKFD-UHFFFAOYSA-N
XLogP1.25
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(5-chloro-8-methoxy-4-oxo-1H-quinolin-2-yl)acetate
CID 39234890
2-(4-methoxy-1H-indol-2-yl)acetic acid
CID 28806414
methyl 2-(6-amino-4-methoxy-1H-indol-2-yl)acetate
CID 141315386
4-hydroxy-5-methoxy-1H-quinolin-2-one
CID 54718133
5-methoxy-2,3-dimethyl-1H-quinolin-4-one
CID 119083522
methyl 2-[2-(2-methoxy-2-oxoethyl)-1H-indol-7-yl]acetate
CID 11184556
bis(4-methoxy-2-methyl-1H-indol-3-yl)methanone
CID 143294111
methyl 2-(6,8-dichloro-4-oxo-1H-quinolin-2-yl)acetate
CID 39234899
1-(4-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one
CID 82279193
2-methoxy-6-(2-methoxy-2-oxoethyl)benzoic acid
CID 11064066
5-methoxy-3-(2-oxopropyl)-1H-quinazoline-2,4-dione
CID 117262084
methyl 2-[4-methoxy-6-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134680684

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-methoxy-4-oxo-1H-quinolin-2-yl)acetate?
The IUPAC name of methyl 2-(5-methoxy-4-oxo-1H-quinolin-2-yl)acetate (CID 54542343) is methyl 2-(5-methoxy-4-oxo-1H-quinolin-2-yl)acetate.
What is the SMILES notation for methyl 2-(5-methoxy-4-oxo-1H-quinolin-2-yl)acetate?
The canonical SMILES for methyl 2-(5-methoxy-4-oxo-1H-quinolin-2-yl)acetate is COC(=O)Cc1cc(=O)c2c(OC)cccc2[nH]1.
What is the InChIKey of methyl 2-(5-methoxy-4-oxo-1H-quinolin-2-yl)acetate?
The InChIKey is ZECPZSSLHSWKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-17-11-5-3-4-9-13(11)10(15)6-8(14-9)7-12(16)18-2/h3-6H,7H2,1-2H3,(H,14,15).
What are the key properties of methyl 2-(5-methoxy-4-oxo-1H-quinolin-2-yl)acetate?
methyl 2-(5-methoxy-4-oxo-1H-quinolin-2-yl)acetate has a molecular weight of 247.25 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-methoxy-4-oxo-1H-quinolin-2-yl)acetate is sourced from PubChem (CID 54542343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).