2-(2-chlorophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinoline-4-carboxamide

C24H18ClN5O — CID 42024551

IUPAC2-(2-chlorophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinoline-4-carboxamide
SMILESO=C(NCCc1nnc2ccccn12)c1cc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C24H18ClN5O/c25-19-9-3-1-8-17(19)21-15-18(16-7-2-4-10-20(16)27-21)24(31)26-13-12-23-29-28-22-11-5-6-14-30(22)23/h1-11,14-15H,12-13H2,(H,26,31)
InChIKeyXHAMOBYYICJELP-UHFFFAOYSA-N
MW427.90 g/mol
LogP4.57
Rot. Bonds5

About 2-(2-chlorophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinoline-4-carboxamide

2-(2-chlorophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinoline-4-carboxamide (PubChem CID 42024551) has the molecular formula C24H18ClN5O and a molecular weight of 427.90 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinoline-4-carboxamide
PubChem CID42024551
Molecular FormulaC24H18ClN5O
Molecular Weight427.90 g/mol
Exact Mass427.12
IUPAC Name2-(2-chlorophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinoline-4-carboxamide
SMILESO=C(NCCc1nnc2ccccn12)c1cc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C24H18ClN5O/c25-19-9-3-1-8-17(19)21-15-18(16-7-2-4-10-20(16)27-21)24(31)26-13-12-23-29-28-22-11-5-6-14-30(22)23/h1-11,14-15H,12-13H2,(H,26,31)
InChIKeyXHAMOBYYICJELP-UHFFFAOYSA-N
XLogP4.57
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.90
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-chlorophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinoline-4-carboxamide with MolForge

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Related Compounds

2-(4-chlorophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinoline-4-carboxamide
CID 134014138
2-(2-chlorophenyl)-N-[2-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 4581581
2-(2-chlorophenyl)-N-[8-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]octyl]quinoline-4-carboxamide
CID 5201132
2-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide
CID 1221492
2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]benzoic acid
CID 91947510
3-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-4-carboxamide
CID 66483359
N-(2-amino-2-oxoethoxy)-2-(2-chlorophenyl)quinoline-4-carboxamide
CID 167970107
2,5-dimethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 24535728
4-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 17480770
methyl 4-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]butanoate
CID 30591047
3-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]naphthalene-2-carboxamide
CID 17446662
2-benzoyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 17444903

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinoline-4-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinoline-4-carboxamide (CID 42024551) is 2-(2-chlorophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinoline-4-carboxamide is O=C(NCCc1nnc2ccccn12)c1cc(-c2ccccc2Cl)nc2ccccc12.
What is the InChIKey of 2-(2-chlorophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinoline-4-carboxamide?
The InChIKey is XHAMOBYYICJELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN5O/c25-19-9-3-1-8-17(19)21-15-18(16-7-2-4-10-20(16)27-21)24(31)26-13-12-23-29-28-22-11-5-6-14-30(22)23/h1-11,14-15H,12-13H2,(H,26,31).
What are the key properties of 2-(2-chlorophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinoline-4-carboxamide?
2-(2-chlorophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinoline-4-carboxamide has a molecular weight of 427.90 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 42024551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).