methyl 4-[2-(4-bromoanilino)-2-oxoethoxy]-6-methylquinoline-2-carboxylate

C20H17BrN2O4 — CID 53002897

IUPACmethyl 4-[2-(4-bromoanilino)-2-oxoethoxy]-6-methylquinoline-2-carboxylate
SMILESCOC(=O)c1cc(OCC(=O)Nc2ccc(Br)cc2)c2cc(C)ccc2n1
InChIInChI=1S/C20H17BrN2O4/c1-12-3-8-16-15(9-12)18(10-17(23-16)20(25)26-2)27-11-19(24)22-14-6-4-13(21)5-7-14/h3-10H,11H2,1-2H3,(H,22,24)
InChIKeyGYNWCVRNNLIQEB-UHFFFAOYSA-N
MW429.27 g/mol
LogP4.11
Rot. Bonds5

About methyl 4-[2-(4-bromoanilino)-2-oxoethoxy]-6-methylquinoline-2-carboxylate

methyl 4-[2-(4-bromoanilino)-2-oxoethoxy]-6-methylquinoline-2-carboxylate (PubChem CID 53002897) has the molecular formula C20H17BrN2O4 and a molecular weight of 429.27 g/mol. Its IUPAC name is methyl 4-[2-(4-bromoanilino)-2-oxoethoxy]-6-methylquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(4-bromoanilino)-2-oxoethoxy]-6-methylquinoline-2-carboxylate
PubChem CID53002897
Molecular FormulaC20H17BrN2O4
Molecular Weight429.27 g/mol
Exact Mass428.04
IUPAC Namemethyl 4-[2-(4-bromoanilino)-2-oxoethoxy]-6-methylquinoline-2-carboxylate
SMILESCOC(=O)c1cc(OCC(=O)Nc2ccc(Br)cc2)c2cc(C)ccc2n1
InChIInChI=1S/C20H17BrN2O4/c1-12-3-8-16-15(9-12)18(10-17(23-16)20(25)26-2)27-11-19(24)22-14-6-4-13(21)5-7-14/h3-10H,11H2,1-2H3,(H,22,24)
InChIKeyGYNWCVRNNLIQEB-UHFFFAOYSA-N
XLogP4.11
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.27
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[2-(3,5-dimethoxyanilino)-2-oxoethoxy]-6-methylquinoline-2-carboxylate
CID 53112999
methyl 4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-6-methylquinoline-2-carboxylate
CID 53112980
ethyl 4-[2-(4-bromoanilino)-2-oxoethoxy]-6-chloroquinoline-2-carboxylate
CID 22425199
methyl 6-methyl-4-[2-(3-methylsulfanylanilino)-2-oxoethoxy]quinoline-2-carboxylate
CID 53113000
methyl 4-[2-(4-methoxyanilino)-2-oxoethoxy]quinoline-2-carboxylate
CID 53112938
methyl 4-ethoxy-6-methylquinoline-2-carboxylate
CID 102941885
methyl 4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-6-fluoroquinoline-2-carboxylate
CID 53113086
methyl 4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethoxy]-6-methylquinoline-2-carboxylate
CID 53043317
methyl 4-[2-(3,5-dimethoxyanilino)-2-oxoethoxy]-6-methoxyquinoline-2-carboxylate
CID 53113052
methyl 6-chloro-4-[2-(3,5-dimethoxyanilino)-2-oxoethoxy]quinoline-2-carboxylate
CID 53113162
methyl 4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethoxy]-6-fluoroquinoline-2-carboxylate
CID 53113121
N-(4-bromophenyl)-2-[2-(4-methoxyphenyl)quinolin-4-yl]oxyacetamide
CID 46298628

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(4-bromoanilino)-2-oxoethoxy]-6-methylquinoline-2-carboxylate?
The IUPAC name of methyl 4-[2-(4-bromoanilino)-2-oxoethoxy]-6-methylquinoline-2-carboxylate (CID 53002897) is methyl 4-[2-(4-bromoanilino)-2-oxoethoxy]-6-methylquinoline-2-carboxylate.
What is the SMILES notation for methyl 4-[2-(4-bromoanilino)-2-oxoethoxy]-6-methylquinoline-2-carboxylate?
The canonical SMILES for methyl 4-[2-(4-bromoanilino)-2-oxoethoxy]-6-methylquinoline-2-carboxylate is COC(=O)c1cc(OCC(=O)Nc2ccc(Br)cc2)c2cc(C)ccc2n1.
What is the InChIKey of methyl 4-[2-(4-bromoanilino)-2-oxoethoxy]-6-methylquinoline-2-carboxylate?
The InChIKey is GYNWCVRNNLIQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O4/c1-12-3-8-16-15(9-12)18(10-17(23-16)20(25)26-2)27-11-19(24)22-14-6-4-13(21)5-7-14/h3-10H,11H2,1-2H3,(H,22,24).
What are the key properties of methyl 4-[2-(4-bromoanilino)-2-oxoethoxy]-6-methylquinoline-2-carboxylate?
methyl 4-[2-(4-bromoanilino)-2-oxoethoxy]-6-methylquinoline-2-carboxylate has a molecular weight of 429.27 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(4-bromoanilino)-2-oxoethoxy]-6-methylquinoline-2-carboxylate is sourced from PubChem (CID 53002897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).