[2-(3-chloroanilino)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate

C16H12ClN3O3 — CID 7226356

IUPAC[2-(3-chloroanilino)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate
SMILESO=C(COC(=O)c1cn2ccccc2n1)Nc1cccc(Cl)c1
InChIInChI=1S/C16H12ClN3O3/c17-11-4-3-5-12(8-11)18-15(21)10-23-16(22)13-9-20-7-2-1-6-14(20)19-13/h1-9H,10H2,(H,18,21)
InChIKeyJGXFIAQLKSJXRS-UHFFFAOYSA-N
MW329.74 g/mol
LogP2.78
Rot. Bonds4

About [2-(3-chloroanilino)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate

[2-(3-chloroanilino)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 7226356) has the molecular formula C16H12ClN3O3 and a molecular weight of 329.74 g/mol. Its IUPAC name is [2-(3-chloroanilino)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-(3-chloroanilino)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID7226356
Molecular FormulaC16H12ClN3O3
Molecular Weight329.74 g/mol
Exact Mass329.06
IUPAC Name[2-(3-chloroanilino)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate
SMILESO=C(COC(=O)c1cn2ccccc2n1)Nc1cccc(Cl)c1
InChIInChI=1S/C16H12ClN3O3/c17-11-4-3-5-12(8-11)18-15(21)10-23-16(22)13-9-20-7-2-1-6-14(20)19-13/h1-9H,10H2,(H,18,21)
InChIKeyJGXFIAQLKSJXRS-UHFFFAOYSA-N
XLogP2.78
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.74
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-chloro-2-methylanilino)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7246860
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7587755
[2-(4-bromo-3-methylanilino)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7247028
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7246843
[2-(3-chloroanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 1088651
N'-(3-chlorophenyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)propanediamide
CID 166517595
[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7226358
1-(3-chlorophenyl)-3-(2-imidazo[1,2-a]pyridin-2-ylphenyl)urea
CID 121149709
[2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 27560755
[2-(3-chloroanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 16503047
[2-(3-chloroanilino)-2-oxoethyl] 2,6-difluorobenzoate
CID 2515596
N-(3-acetylphenyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 18079676

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloroanilino)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of [2-(3-chloroanilino)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate (CID 7226356) is [2-(3-chloroanilino)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for [2-(3-chloroanilino)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for [2-(3-chloroanilino)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate is O=C(COC(=O)c1cn2ccccc2n1)Nc1cccc(Cl)c1.
What is the InChIKey of [2-(3-chloroanilino)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is JGXFIAQLKSJXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O3/c17-11-4-3-5-12(8-11)18-15(21)10-23-16(22)13-9-20-7-2-1-6-14(20)19-13/h1-9H,10H2,(H,18,21).
What are the key properties of [2-(3-chloroanilino)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate?
[2-(3-chloroanilino)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 329.74 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloroanilino)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 7226356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).