[2-(2,4-dibromoanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate

C19H14Br2N2O3 — CID 2105198

IUPAC[2-(2,4-dibromoanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
SMILESCc1cc(C(=O)OCC(=O)Nc2ccc(Br)cc2Br)c2ccccc2n1
InChIInChI=1S/C19H14Br2N2O3/c1-11-8-14(13-4-2-3-5-16(13)22-11)19(25)26-10-18(24)23-17-7-6-12(20)9-15(17)21/h2-9H,10H2,1H3,(H,23,24)
InChIKeyVDMPRYNLSXLGDE-UHFFFAOYSA-N
MW478.14 g/mol
LogP4.86
Rot. Bonds4

About [2-(2,4-dibromoanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate

[2-(2,4-dibromoanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate (PubChem CID 2105198) has the molecular formula C19H14Br2N2O3 and a molecular weight of 478.14 g/mol. Its IUPAC name is [2-(2,4-dibromoanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(2,4-dibromoanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
PubChem CID2105198
Molecular FormulaC19H14Br2N2O3
Molecular Weight478.14 g/mol
Exact Mass475.94
IUPAC Name[2-(2,4-dibromoanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
SMILESCc1cc(C(=O)OCC(=O)Nc2ccc(Br)cc2Br)c2ccccc2n1
InChIInChI=1S/C19H14Br2N2O3/c1-11-8-14(13-4-2-3-5-16(13)22-11)19(25)26-10-18(24)23-17-7-6-12(20)9-15(17)21/h2-9H,10H2,1H3,(H,23,24)
InChIKeyVDMPRYNLSXLGDE-UHFFFAOYSA-N
XLogP4.86
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.14
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,4-dibromoanilino)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 23992650
[2-(2-cyanoanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2454944
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 7351421
[2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 23969698
[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2484632
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2484664
[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 845169
[2-(2,4-dibromoanilino)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 23913819
3-[[2-(2-methylquinoline-4-carbonyl)oxyacetyl]amino]benzoic acid
CID 23913779
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate
CID 3873039
[2-(2-chloro-5-nitroanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2484661
[2-(3-methoxyanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2484557

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dibromoanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate?
The IUPAC name of [2-(2,4-dibromoanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate (CID 2105198) is [2-(2,4-dibromoanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate.
What is the SMILES notation for [2-(2,4-dibromoanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate?
The canonical SMILES for [2-(2,4-dibromoanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate is Cc1cc(C(=O)OCC(=O)Nc2ccc(Br)cc2Br)c2ccccc2n1.
What is the InChIKey of [2-(2,4-dibromoanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate?
The InChIKey is VDMPRYNLSXLGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Br2N2O3/c1-11-8-14(13-4-2-3-5-16(13)22-11)19(25)26-10-18(24)23-17-7-6-12(20)9-15(17)21/h2-9H,10H2,1H3,(H,23,24).
What are the key properties of [2-(2,4-dibromoanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate?
[2-(2,4-dibromoanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate has a molecular weight of 478.14 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dibromoanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate is sourced from PubChem (CID 2105198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).