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

C24H18ClN5O — CID 134014138

IUPAC2-(4-chlorophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinoline-4-carboxamide
SMILESO=C(NCCc1nnc2ccccn12)c1cc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C24H18ClN5O/c25-17-10-8-16(9-11-17)21-15-19(18-5-1-2-6-20(18)27-21)24(31)26-13-12-23-29-28-22-7-3-4-14-30(22)23/h1-11,14-15H,12-13H2,(H,26,31)
InChIKeySYFOCVARLYDYDW-UHFFFAOYSA-N
MW427.90 g/mol
LogP4.57
Rot. Bonds5

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

2-(4-chlorophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinoline-4-carboxamide (PubChem CID 134014138) has the molecular formula C24H18ClN5O and a molecular weight of 427.90 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinoline-4-carboxamide
PubChem CID134014138
Molecular FormulaC24H18ClN5O
Molecular Weight427.90 g/mol
Exact Mass427.12
IUPAC Name2-(4-chlorophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinoline-4-carboxamide
SMILESO=C(NCCc1nnc2ccccn12)c1cc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C24H18ClN5O/c25-17-10-8-16(9-11-17)21-15-19(18-5-1-2-6-20(18)27-21)24(31)26-13-12-23-29-28-22-7-3-4-14-30(22)23/h1-11,14-15H,12-13H2,(H,26,31)
InChIKeySYFOCVARLYDYDW-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-(4-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-(2-chlorophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinoline-4-carboxamide
CID 42024551
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 5115230
4-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 17480770
2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]benzoic acid
CID 91947510
2-(4-chlorophenyl)-N-[3-(2-methoxyethoxy)propyl]quinoline-4-carboxamide
CID 55407847
2-(4-chlorophenyl)-N-[2-[4-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperazin-1-yl]ethyl]quinoline-4-carboxamide
CID 4618121
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 5141556
6-chloro-4-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-quinoline-3-carboxamide
CID 91639464
3-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]naphthalene-2-carboxamide
CID 17446662
2-(4-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide
CID 9299791
2-benzoyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 17444903
2-(3,4-dichlorophenyl)-N-[3-[[2-(3,4-dichlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 3705403

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinoline-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinoline-4-carboxamide (CID 134014138) is 2-(4-chlorophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinoline-4-carboxamide is O=C(NCCc1nnc2ccccn12)c1cc(-c2ccc(Cl)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinoline-4-carboxamide?
The InChIKey is SYFOCVARLYDYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN5O/c25-17-10-8-16(9-11-17)21-15-19(18-5-1-2-6-20(18)27-21)24(31)26-13-12-23-29-28-22-7-3-4-14-30(22)23/h1-11,14-15H,12-13H2,(H,26,31).
What are the key properties of 2-(4-chlorophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinoline-4-carboxamide?
2-(4-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-(4-chlorophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 134014138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).