methyl 2-(5-chloro-8-methoxy-4-oxo-1H-quinolin-2-yl)acetate

C13H12ClNO4 — CID 39234890

IUPACmethyl 2-(5-chloro-8-methoxy-4-oxo-1H-quinolin-2-yl)acetate
SMILESCOC(=O)Cc1cc(=O)c2c(Cl)ccc(OC)c2[nH]1
InChIInChI=1S/C13H12ClNO4/c1-18-10-4-3-8(14)12-9(16)5-7(15-13(10)12)6-11(17)19-2/h3-5H,6H2,1-2H3,(H,15,16)
InChIKeyYXOYCCQWUKIOHM-UHFFFAOYSA-N
MW281.69 g/mol
LogP1.91
Rot. Bonds3

About methyl 2-(5-chloro-8-methoxy-4-oxo-1H-quinolin-2-yl)acetate

methyl 2-(5-chloro-8-methoxy-4-oxo-1H-quinolin-2-yl)acetate (PubChem CID 39234890) has the molecular formula C13H12ClNO4 and a molecular weight of 281.69 g/mol. Its IUPAC name is methyl 2-(5-chloro-8-methoxy-4-oxo-1H-quinolin-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-chloro-8-methoxy-4-oxo-1H-quinolin-2-yl)acetate
PubChem CID39234890
Molecular FormulaC13H12ClNO4
Molecular Weight281.69 g/mol
Exact Mass281.05
IUPAC Namemethyl 2-(5-chloro-8-methoxy-4-oxo-1H-quinolin-2-yl)acetate
SMILESCOC(=O)Cc1cc(=O)c2c(Cl)ccc(OC)c2[nH]1
InChIInChI=1S/C13H12ClNO4/c1-18-10-4-3-8(14)12-9(16)5-7(15-13(10)12)6-11(17)19-2/h3-5H,6H2,1-2H3,(H,15,16)
InChIKeyYXOYCCQWUKIOHM-UHFFFAOYSA-N
XLogP1.91
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.69
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(5-methoxy-4-oxo-1H-quinolin-2-yl)acetate
CID 54542343
methyl 2-(6,8-dichloro-4-oxo-1H-quinolin-2-yl)acetate
CID 39234899
methyl 2-(4,5-dichloro-2-methoxyphenyl)acetate
CID 82553977
methyl 2-[2-(2-methoxy-2-oxoethyl)-1H-indol-7-yl]acetate
CID 11184556
2-(5-chloro-8-methyl-4-oxo-1H-quinolin-2-yl)acetonitrile
CID 82243037
5-chloro-8-methoxy-9H-carbazole-1-carboxylic acid
CID 21399949
5-chloro-1-(2-hydroxyethyl)-8-methoxy-4-oxoquinoline-2-carboxylic acid
CID 82251962
methyl 2-[4-methoxy-6-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134680684
2-(5-chloro-8-methoxy-4-methylquinolin-2-yl)acetic acid
CID 82574937
methyl 2-(2-chloro-6-methoxyphenyl)acetate
CID 170997137
methyl 2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)acetate
CID 7063826
methyl 2-(6-amino-4-methoxy-1H-indol-2-yl)acetate
CID 141315386

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-chloro-8-methoxy-4-oxo-1H-quinolin-2-yl)acetate?
The IUPAC name of methyl 2-(5-chloro-8-methoxy-4-oxo-1H-quinolin-2-yl)acetate (CID 39234890) is methyl 2-(5-chloro-8-methoxy-4-oxo-1H-quinolin-2-yl)acetate.
What is the SMILES notation for methyl 2-(5-chloro-8-methoxy-4-oxo-1H-quinolin-2-yl)acetate?
The canonical SMILES for methyl 2-(5-chloro-8-methoxy-4-oxo-1H-quinolin-2-yl)acetate is COC(=O)Cc1cc(=O)c2c(Cl)ccc(OC)c2[nH]1.
What is the InChIKey of methyl 2-(5-chloro-8-methoxy-4-oxo-1H-quinolin-2-yl)acetate?
The InChIKey is YXOYCCQWUKIOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO4/c1-18-10-4-3-8(14)12-9(16)5-7(15-13(10)12)6-11(17)19-2/h3-5H,6H2,1-2H3,(H,15,16).
What are the key properties of methyl 2-(5-chloro-8-methoxy-4-oxo-1H-quinolin-2-yl)acetate?
methyl 2-(5-chloro-8-methoxy-4-oxo-1H-quinolin-2-yl)acetate has a molecular weight of 281.69 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-chloro-8-methoxy-4-oxo-1H-quinolin-2-yl)acetate is sourced from PubChem (CID 39234890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).