methyl 8-(2,4-dichlorophenyl)-2-methyl-4-oxo-1H-quinoline-5-carboxylate

C18H13Cl2NO3 — CID 68841187

IUPACmethyl 8-(2,4-dichlorophenyl)-2-methyl-4-oxo-1H-quinoline-5-carboxylate
SMILESCOC(=O)c1ccc(-c2ccc(Cl)cc2Cl)c2[nH]c(C)cc(=O)c12
InChIInChI=1S/C18H13Cl2NO3/c1-9-7-15(22)16-13(18(23)24-2)6-5-12(17(16)21-9)11-4-3-10(19)8-14(11)20/h3-8H,1-2H3,(H,21,22)
InChIKeyIPZLRMGCZBFQGX-UHFFFAOYSA-N
MW362.21 g/mol
LogP4.60
Rot. Bonds2

About methyl 8-(2,4-dichlorophenyl)-2-methyl-4-oxo-1H-quinoline-5-carboxylate

methyl 8-(2,4-dichlorophenyl)-2-methyl-4-oxo-1H-quinoline-5-carboxylate (PubChem CID 68841187) has the molecular formula C18H13Cl2NO3 and a molecular weight of 362.21 g/mol. Its IUPAC name is methyl 8-(2,4-dichlorophenyl)-2-methyl-4-oxo-1H-quinoline-5-carboxylate.

Molecular Properties

Compound Namemethyl 8-(2,4-dichlorophenyl)-2-methyl-4-oxo-1H-quinoline-5-carboxylate
PubChem CID68841187
Molecular FormulaC18H13Cl2NO3
Molecular Weight362.21 g/mol
Exact Mass361.03
IUPAC Namemethyl 8-(2,4-dichlorophenyl)-2-methyl-4-oxo-1H-quinoline-5-carboxylate
SMILESCOC(=O)c1ccc(-c2ccc(Cl)cc2Cl)c2[nH]c(C)cc(=O)c12
InChIInChI=1S/C18H13Cl2NO3/c1-9-7-15(22)16-13(18(23)24-2)6-5-12(17(16)21-9)11-4-3-10(19)8-14(11)20/h3-8H,1-2H3,(H,21,22)
InChIKeyIPZLRMGCZBFQGX-UHFFFAOYSA-N
XLogP4.60
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.21
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-(2,4-dichlorophenyl)-2-methyl-1H-quinolin-4-one
CID 11120236
methyl 5-(2,4-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylate
CID 133092788
methyl 5-(2,4-dichlorophenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 133093032
2-O-ethyl 5-O-methyl 8-fluoro-4-oxo-1H-quinoline-2,5-dicarboxylate
CID 58959693
4-chloro-2-methoxycarbonylbenzoic acid
CID 58541939
methyl 5-(2,4-dichlorophenyl)-2-fluoropyridine-4-carboxylate
CID 133090457
methyl 2-(2,4-dichlorophenyl)-6-fluorobenzoate
CID 119010018
methyl 5-chloro-8-fluoro-4-oxo-1H-quinoline-2-carboxylate
CID 63376397
methyl 2-(2,4-dichlorophenyl)-1H-imidazole-5-carboxylate
CID 62278570
methyl 5-chloro-2-trimethylsilylbenzoate
CID 175229635
methyl 3,5-dichloro-2-(2,4-dichloro-6-methoxycarbonylphenyl)benzoate
CID 2818076
methyl 5-chloro-2-isocyanobenzoate
CID 2769510

Frequently Asked Questions

What is the IUPAC name of methyl 8-(2,4-dichlorophenyl)-2-methyl-4-oxo-1H-quinoline-5-carboxylate?
The IUPAC name of methyl 8-(2,4-dichlorophenyl)-2-methyl-4-oxo-1H-quinoline-5-carboxylate (CID 68841187) is methyl 8-(2,4-dichlorophenyl)-2-methyl-4-oxo-1H-quinoline-5-carboxylate.
What is the SMILES notation for methyl 8-(2,4-dichlorophenyl)-2-methyl-4-oxo-1H-quinoline-5-carboxylate?
The canonical SMILES for methyl 8-(2,4-dichlorophenyl)-2-methyl-4-oxo-1H-quinoline-5-carboxylate is COC(=O)c1ccc(-c2ccc(Cl)cc2Cl)c2[nH]c(C)cc(=O)c12.
What is the InChIKey of methyl 8-(2,4-dichlorophenyl)-2-methyl-4-oxo-1H-quinoline-5-carboxylate?
The InChIKey is IPZLRMGCZBFQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2NO3/c1-9-7-15(22)16-13(18(23)24-2)6-5-12(17(16)21-9)11-4-3-10(19)8-14(11)20/h3-8H,1-2H3,(H,21,22).
What are the key properties of methyl 8-(2,4-dichlorophenyl)-2-methyl-4-oxo-1H-quinoline-5-carboxylate?
methyl 8-(2,4-dichlorophenyl)-2-methyl-4-oxo-1H-quinoline-5-carboxylate has a molecular weight of 362.21 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-(2,4-dichlorophenyl)-2-methyl-4-oxo-1H-quinoline-5-carboxylate is sourced from PubChem (CID 68841187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).