methyl 4-[2-(2,6-dimethylanilino)-2-oxoethoxy]-6-fluoroquinoline-2-carboxylate

C21H19FN2O4 — CID 53113099

IUPACmethyl 4-[2-(2,6-dimethylanilino)-2-oxoethoxy]-6-fluoroquinoline-2-carboxylate
SMILESCOC(=O)c1cc(OCC(=O)Nc2c(C)cccc2C)c2cc(F)ccc2n1
InChIInChI=1S/C21H19FN2O4/c1-12-5-4-6-13(2)20(12)24-19(25)11-28-18-10-17(21(26)27-3)23-16-8-7-14(22)9-15(16)18/h4-10H,11H2,1-3H3,(H,24,25)
InChIKeyFYZKNLAKBZMKFK-UHFFFAOYSA-N
MW382.39 g/mol
LogP3.79
Rot. Bonds5

About methyl 4-[2-(2,6-dimethylanilino)-2-oxoethoxy]-6-fluoroquinoline-2-carboxylate

methyl 4-[2-(2,6-dimethylanilino)-2-oxoethoxy]-6-fluoroquinoline-2-carboxylate (PubChem CID 53113099) has the molecular formula C21H19FN2O4 and a molecular weight of 382.39 g/mol. Its IUPAC name is methyl 4-[2-(2,6-dimethylanilino)-2-oxoethoxy]-6-fluoroquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(2,6-dimethylanilino)-2-oxoethoxy]-6-fluoroquinoline-2-carboxylate
PubChem CID53113099
Molecular FormulaC21H19FN2O4
Molecular Weight382.39 g/mol
Exact Mass382.13
IUPAC Namemethyl 4-[2-(2,6-dimethylanilino)-2-oxoethoxy]-6-fluoroquinoline-2-carboxylate
SMILESCOC(=O)c1cc(OCC(=O)Nc2c(C)cccc2C)c2cc(F)ccc2n1
InChIInChI=1S/C21H19FN2O4/c1-12-5-4-6-13(2)20(12)24-19(25)11-28-18-10-17(21(26)27-3)23-16-8-7-14(22)9-15(16)18/h4-10H,11H2,1-3H3,(H,24,25)
InChIKeyFYZKNLAKBZMKFK-UHFFFAOYSA-N
XLogP3.79
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-6-fluoroquinoline-2-carboxylate
CID 53113086
methyl 4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethoxy]-6-fluoroquinoline-2-carboxylate
CID 53113121
methyl 6-chloro-4-[2-(2-methylanilino)-2-oxoethoxy]quinoline-2-carboxylate
CID 53113151
methyl 4-(2-chloroethoxy)-6-fluoroquinoline-2-carboxylate
CID 11482982
methyl 6-fluoro-4-(3-phenoxypropoxy)quinoline-2-carboxylate
CID 11462395
methyl 6-methyl-4-[2-(3-methylsulfanylanilino)-2-oxoethoxy]quinoline-2-carboxylate
CID 53113000
methyl 4-[2-(3,5-dimethoxyanilino)-2-oxoethoxy]-6-methylquinoline-2-carboxylate
CID 53112999
methyl 4-[2-(3,5-dimethoxyanilino)-2-oxoethoxy]-6-methoxyquinoline-2-carboxylate
CID 53113052
methyl 6-chloro-4-[2-(3-methoxyanilino)-2-oxoethoxy]quinoline-2-carboxylate
CID 53113143
methyl 4-[(2-chlorophenyl)methoxy]-6-fluoroquinoline-2-carboxylate
CID 53113123
methyl 4-[2-(4-bromoanilino)-2-oxoethoxy]-6-methylquinoline-2-carboxylate
CID 53002897
methyl 4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-6-methylquinoline-2-carboxylate
CID 53112980

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(2,6-dimethylanilino)-2-oxoethoxy]-6-fluoroquinoline-2-carboxylate?
The IUPAC name of methyl 4-[2-(2,6-dimethylanilino)-2-oxoethoxy]-6-fluoroquinoline-2-carboxylate (CID 53113099) is methyl 4-[2-(2,6-dimethylanilino)-2-oxoethoxy]-6-fluoroquinoline-2-carboxylate.
What is the SMILES notation for methyl 4-[2-(2,6-dimethylanilino)-2-oxoethoxy]-6-fluoroquinoline-2-carboxylate?
The canonical SMILES for methyl 4-[2-(2,6-dimethylanilino)-2-oxoethoxy]-6-fluoroquinoline-2-carboxylate is COC(=O)c1cc(OCC(=O)Nc2c(C)cccc2C)c2cc(F)ccc2n1.
What is the InChIKey of methyl 4-[2-(2,6-dimethylanilino)-2-oxoethoxy]-6-fluoroquinoline-2-carboxylate?
The InChIKey is FYZKNLAKBZMKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O4/c1-12-5-4-6-13(2)20(12)24-19(25)11-28-18-10-17(21(26)27-3)23-16-8-7-14(22)9-15(16)18/h4-10H,11H2,1-3H3,(H,24,25).
What are the key properties of methyl 4-[2-(2,6-dimethylanilino)-2-oxoethoxy]-6-fluoroquinoline-2-carboxylate?
methyl 4-[2-(2,6-dimethylanilino)-2-oxoethoxy]-6-fluoroquinoline-2-carboxylate has a molecular weight of 382.39 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(2,6-dimethylanilino)-2-oxoethoxy]-6-fluoroquinoline-2-carboxylate is sourced from PubChem (CID 53113099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).