[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl] quinoline-5-carboxylate

C17H12BrN3O3 — CID 166199604

IUPAC[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl] quinoline-5-carboxylate
SMILESO=C(COC(=O)c1cccc2ncccc12)Nc1ccc(Br)cn1
InChIInChI=1S/C17H12BrN3O3/c18-11-6-7-15(20-9-11)21-16(22)10-24-17(23)13-3-1-5-14-12(13)4-2-8-19-14/h1-9H,10H2,(H,20,21,22)
InChIKeySLLHDRPIRDLJDB-UHFFFAOYSA-N
MW386.21 g/mol
LogP3.19
Rot. Bonds4

About [2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl] quinoline-5-carboxylate

[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl] quinoline-5-carboxylate (PubChem CID 166199604) has the molecular formula C17H12BrN3O3 and a molecular weight of 386.21 g/mol. Its IUPAC name is [2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl] quinoline-5-carboxylate.

Molecular Properties

Compound Name[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl] quinoline-5-carboxylate
PubChem CID166199604
Molecular FormulaC17H12BrN3O3
Molecular Weight386.21 g/mol
Exact Mass385.01
IUPAC Name[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl] quinoline-5-carboxylate
SMILESO=C(COC(=O)c1cccc2ncccc12)Nc1ccc(Br)cn1
InChIInChI=1S/C17H12BrN3O3/c18-11-6-7-15(20-9-11)21-16(22)10-24-17(23)13-3-1-5-14-12(13)4-2-8-19-14/h1-9H,10H2,(H,20,21,22)
InChIKeySLLHDRPIRDLJDB-UHFFFAOYSA-N
XLogP3.19
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.21
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl] quinoline-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-bromophenyl)-2-oxoethyl] 2-(quinolin-5-ylcarbamoyl)benzoate
CID 4110558
[2-(4-ethoxy-2-nitroanilino)-2-oxoethyl] quinoline-5-carboxylate
CID 26061714
N-(5-bromo-2-pyridinyl)-2-phenoxyacetamide
CID 780284
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] quinoline-4-carboxylate
CID 78815301
N-(5-bromo-2-pyridinyl)-2-ethoxyacetamide
CID 60655115
[2-(3-bromoanilino)-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 2467619
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2545117
[2-oxo-2-(quinolin-5-ylamino)ethyl] 3,5-dimethylbenzoate
CID 41352483
N-(2-amino-2-oxoethoxy)quinoline-5-carboxamide
CID 112550935
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 2572697
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,3-dichlorobenzoate
CID 2617414
[2-oxo-2-(quinolin-5-ylamino)ethyl] 4-methoxybenzoate
CID 41332969

Frequently Asked Questions

What is the IUPAC name of [2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl] quinoline-5-carboxylate?
The IUPAC name of [2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl] quinoline-5-carboxylate (CID 166199604) is [2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl] quinoline-5-carboxylate.
What is the SMILES notation for [2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl] quinoline-5-carboxylate?
The canonical SMILES for [2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl] quinoline-5-carboxylate is O=C(COC(=O)c1cccc2ncccc12)Nc1ccc(Br)cn1.
What is the InChIKey of [2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl] quinoline-5-carboxylate?
The InChIKey is SLLHDRPIRDLJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN3O3/c18-11-6-7-15(20-9-11)21-16(22)10-24-17(23)13-3-1-5-14-12(13)4-2-8-19-14/h1-9H,10H2,(H,20,21,22).
What are the key properties of [2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl] quinoline-5-carboxylate?
[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl] quinoline-5-carboxylate has a molecular weight of 386.21 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl] quinoline-5-carboxylate is sourced from PubChem (CID 166199604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).