methyl 7-(3,5-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylate

C18H13Cl2NO5 — CID 130194527

IUPACmethyl 7-(3,5-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylate
SMILESCOC(=O)c1c(O)c2ccc(Oc3cc(Cl)cc(Cl)c3)cc2n(C)c1=O
InChIInChI=1S/C18H13Cl2NO5/c1-21-14-8-11(26-12-6-9(19)5-10(20)7-12)3-4-13(14)16(22)15(17(21)23)18(24)25-2/h3-8,22H,1-2H3
InChIKeyOPRGENLPCIIHBY-UHFFFAOYSA-N
MW394.21 g/mol
LogP4.13
Rot. Bonds3

About methyl 7-(3,5-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylate

methyl 7-(3,5-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylate (PubChem CID 130194527) has the molecular formula C18H13Cl2NO5 and a molecular weight of 394.21 g/mol. Its IUPAC name is methyl 7-(3,5-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 7-(3,5-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylate
PubChem CID130194527
Molecular FormulaC18H13Cl2NO5
Molecular Weight394.21 g/mol
Exact Mass393.02
IUPAC Namemethyl 7-(3,5-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylate
SMILESCOC(=O)c1c(O)c2ccc(Oc3cc(Cl)cc(Cl)c3)cc2n(C)c1=O
InChIInChI=1S/C18H13Cl2NO5/c1-21-14-8-11(26-12-6-9(19)5-10(20)7-12)3-4-13(14)16(22)15(17(21)23)18(24)25-2/h3-8,22H,1-2H3
InChIKeyOPRGENLPCIIHBY-UHFFFAOYSA-N
XLogP4.13
TPSA77.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.21
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 7-bromo-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylate
CID 59340050
ethyl 4-hydroxy-1-methyl-2-oxo-7-phenoxyquinoline-3-carboxylate
CID 76852698
methyl 4-hydroxy-1-methyl-7-nitro-2-oxoquinoline-3-carboxylate
CID 54677611
7-(3,4-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbaldehyde
CID 166804674
2-[[7-(2,5-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid
CID 118934735
4-hydroxy-3,7-dimethoxy-1-methylquinolin-2-one
CID 54737447
[7-(2,5-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinolin-3-yl] acetate
CID 174779481
4-[7-(2-chloro-3-fluorophenoxy)-4-hydroxy-1-methyl-2-oxoquinolin-3-yl]-4-oxobutanoic acid
CID 161384700
4-hydroxy-3-methoxy-1-methyl-7-propan-2-yloxyquinolin-2-one
CID 139717841
4-[7-(2-fluorophenoxy)-4-hydroxy-1-methyl-2-oxoquinolin-3-yl]-4-oxobutanoic acid
CID 157266952
2-[[7-(2-fluoro-3-methylphenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid
CID 130217096
methyl 4-hydroxy-1,5,6-trimethyl-2-oxoquinoline-3-carboxylate
CID 54737384

Frequently Asked Questions

What is the IUPAC name of methyl 7-(3,5-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylate?
The IUPAC name of methyl 7-(3,5-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylate (CID 130194527) is methyl 7-(3,5-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylate.
What is the SMILES notation for methyl 7-(3,5-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylate?
The canonical SMILES for methyl 7-(3,5-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylate is COC(=O)c1c(O)c2ccc(Oc3cc(Cl)cc(Cl)c3)cc2n(C)c1=O.
What is the InChIKey of methyl 7-(3,5-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylate?
The InChIKey is OPRGENLPCIIHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2NO5/c1-21-14-8-11(26-12-6-9(19)5-10(20)7-12)3-4-13(14)16(22)15(17(21)23)18(24)25-2/h3-8,22H,1-2H3.
What are the key properties of methyl 7-(3,5-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylate?
methyl 7-(3,5-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylate has a molecular weight of 394.21 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(3,5-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylate is sourced from PubChem (CID 130194527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).