methyl 7-chloro-5-ethyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate

C13H12ClNO4 — CID 54726653

IUPACmethyl 7-chloro-5-ethyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate
SMILESCCc1cc(Cl)cc2[nH]c(=O)c(C(=O)OC)c(O)c12
InChIInChI=1S/C13H12ClNO4/c1-3-6-4-7(14)5-8-9(6)11(16)10(12(17)15-8)13(18)19-2/h4-5H,3H2,1-2H3,(H2,15,16,17)
InChIKeyIKDINHIDNMSSGT-UHFFFAOYSA-N
MW281.69 g/mol
LogP2.24
Rot. Bonds2

About methyl 7-chloro-5-ethyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate

methyl 7-chloro-5-ethyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate (PubChem CID 54726653) has the molecular formula C13H12ClNO4 and a molecular weight of 281.69 g/mol. Its IUPAC name is methyl 7-chloro-5-ethyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 7-chloro-5-ethyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate
PubChem CID54726653
Molecular FormulaC13H12ClNO4
Molecular Weight281.69 g/mol
Exact Mass281.05
IUPAC Namemethyl 7-chloro-5-ethyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate
SMILESCCc1cc(Cl)cc2[nH]c(=O)c(C(=O)OC)c(O)c12
InChIInChI=1S/C13H12ClNO4/c1-3-6-4-7(14)5-8-9(6)11(16)10(12(17)15-8)13(18)19-2/h4-5H,3H2,1-2H3,(H2,15,16,17)
InChIKeyIKDINHIDNMSSGT-UHFFFAOYSA-N
XLogP2.24
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.69
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-5-ethyl-4-hydroxy-3-(3-(111C)methoxyphenyl)-1H-quinolin-2-one
CID 54735575
ethyl 7-chloro-5-ethyl-4-oxo-1H-quinoline-2-carboxylate
CID 19735198
methyl 5-ethyl-4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carboxylate
CID 58024646
methyl 4,6-dichloro-3-hydroxy-1H-indole-2-carboxylate
CID 142664172
ethyl 5,7-diethyl-4-hydroxy-2-oxo-1H-1,6-naphthyridine-3-carboxylate
CID 54684680
methyl 5-chloro-3-ethyl-1H-pyrrole-2-carboxylate
CID 91196285
methyl 4-chloro-2,6-diiodobenzoate
CID 130775245
prop-2-enyl 4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxylate
CID 54732863
dimethyl 5,6,7-trichloro-4-oxo-1H-quinoline-2,3-dicarboxylate
CID 18929910
methyl 2-chloro-5-ethyl-4-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 69285399
methyl 4-chloro-2-fluoro-6-(methoxymethyl)benzoate
CID 170699894
methyl 4-benzyl-2-oxo-6-phenyl-1H-pyridine-3-carboxylate
CID 90822779

Frequently Asked Questions

What is the IUPAC name of methyl 7-chloro-5-ethyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of methyl 7-chloro-5-ethyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate (CID 54726653) is methyl 7-chloro-5-ethyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for methyl 7-chloro-5-ethyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for methyl 7-chloro-5-ethyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate is CCc1cc(Cl)cc2[nH]c(=O)c(C(=O)OC)c(O)c12.
What is the InChIKey of methyl 7-chloro-5-ethyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate?
The InChIKey is IKDINHIDNMSSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO4/c1-3-6-4-7(14)5-8-9(6)11(16)10(12(17)15-8)13(18)19-2/h4-5H,3H2,1-2H3,(H2,15,16,17).
What are the key properties of methyl 7-chloro-5-ethyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate?
methyl 7-chloro-5-ethyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate has a molecular weight of 281.69 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-chloro-5-ethyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 54726653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).