[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-pyridin-3-ylquinoline-4-carboxylate

C24H15ClN4O3 — CID 23933241

IUPAC[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-pyridin-3-ylquinoline-4-carboxylate
SMILESN#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C24H15ClN4O3/c25-17-8-7-15(12-26)21(10-17)29-23(30)14-32-24(31)19-11-22(16-4-3-9-27-13-16)28-20-6-2-1-5-18(19)20/h1-11,13H,14H2,(H,29,30)
InChIKeyZKFNHQHXXZGRBS-UHFFFAOYSA-N
MW442.86 g/mol
LogP4.62
Rot. Bonds5

About [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-pyridin-3-ylquinoline-4-carboxylate

[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-pyridin-3-ylquinoline-4-carboxylate (PubChem CID 23933241) has the molecular formula C24H15ClN4O3 and a molecular weight of 442.86 g/mol. Its IUPAC name is [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-pyridin-3-ylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-pyridin-3-ylquinoline-4-carboxylate
PubChem CID23933241
Molecular FormulaC24H15ClN4O3
Molecular Weight442.86 g/mol
Exact Mass442.08
IUPAC Name[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-pyridin-3-ylquinoline-4-carboxylate
SMILESN#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C24H15ClN4O3/c25-17-8-7-15(12-26)21(10-17)29-23(30)14-32-24(31)19-11-22(16-4-3-9-27-13-16)28-20-6-2-1-5-18(19)20/h1-11,13H,14H2,(H,29,30)
InChIKeyZKFNHQHXXZGRBS-UHFFFAOYSA-N
XLogP4.62
TPSA104.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.86
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-pyridin-3-ylquinoline-4-carboxylate with MolForge

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Related Compounds

[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 4-phenylbenzoate
CID 4858479
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] benzoate
CID 2517138
[2-(2-cyanoanilino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 16528678
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 4803191
[2-(2-cyanoanilino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
CID 2353532
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 2391818
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 16528654
[2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 2-phenylquinoline-4-carboxylate
CID 2357065
[2-(2-cyanoanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2454944
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-pyridin-3-ylquinoline-4-carboxylate
CID 2435948
(3,3-dimethyl-2-oxobutyl) 2-pyridin-3-ylquinoline-4-carboxylate
CID 2401604
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 7351421

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-pyridin-3-ylquinoline-4-carboxylate?
The IUPAC name of [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-pyridin-3-ylquinoline-4-carboxylate (CID 23933241) is [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-pyridin-3-ylquinoline-4-carboxylate.
What is the SMILES notation for [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-pyridin-3-ylquinoline-4-carboxylate?
The canonical SMILES for [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-pyridin-3-ylquinoline-4-carboxylate is N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(-c2cccnc2)nc2ccccc12.
What is the InChIKey of [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-pyridin-3-ylquinoline-4-carboxylate?
The InChIKey is ZKFNHQHXXZGRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClN4O3/c25-17-8-7-15(12-26)21(10-17)29-23(30)14-32-24(31)19-11-22(16-4-3-9-27-13-16)28-20-6-2-1-5-18(19)20/h1-11,13H,14H2,(H,29,30).
What are the key properties of [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-pyridin-3-ylquinoline-4-carboxylate?
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-pyridin-3-ylquinoline-4-carboxylate has a molecular weight of 442.86 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-pyridin-3-ylquinoline-4-carboxylate is sourced from PubChem (CID 23933241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).