8-chloro-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-quinoline-3-carboxamide

C17H12ClN5O2 — CID 71708653

IUPAC8-chloro-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-quinoline-3-carboxamide
SMILESO=C(NCc1nnc2ccccn12)c1c[nH]c2c(Cl)cccc2c1=O
InChIInChI=1S/C17H12ClN5O2/c18-12-5-3-4-10-15(12)19-8-11(16(10)24)17(25)20-9-14-22-21-13-6-1-2-7-23(13)14/h1-8H,9H2,(H,19,24)(H,20,25)
InChIKeyBCTDXAGJQDFKGK-UHFFFAOYSA-N
MW353.77 g/mol
LogP2.15
Rot. Bonds3

About 8-chloro-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-quinoline-3-carboxamide

8-chloro-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-quinoline-3-carboxamide (PubChem CID 71708653) has the molecular formula C17H12ClN5O2 and a molecular weight of 353.77 g/mol. Its IUPAC name is 8-chloro-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name8-chloro-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-quinoline-3-carboxamide
PubChem CID71708653
Molecular FormulaC17H12ClN5O2
Molecular Weight353.77 g/mol
Exact Mass353.07
IUPAC Name8-chloro-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-quinoline-3-carboxamide
SMILESO=C(NCc1nnc2ccccn12)c1c[nH]c2c(Cl)cccc2c1=O
InChIInChI=1S/C17H12ClN5O2/c18-12-5-3-4-10-15(12)19-8-11(16(10)24)17(25)20-9-14-22-21-13-6-1-2-7-23(13)14/h1-8H,9H2,(H,19,24)(H,20,25)
InChIKeyBCTDXAGJQDFKGK-UHFFFAOYSA-N
XLogP2.15
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.77
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 8-chloro-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-quinoline-3-carboxamide with MolForge

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Related Compounds

8-chloro-N-[(4-chlorophenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 10427772
6-chloro-4-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-quinoline-3-carboxamide
CID 91639464
3-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 66484521
6-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-pyridazine-3-carboxamide
CID 30602417
2-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9021173
2-chloro-5-piperidin-1-ylsulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 27848577
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9020998
8-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 91639778
8-fluoro-4-oxo-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-quinoline-3-carboxamide
CID 124896589
2-methylsulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 31307812
3-chloro-4-hydroxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 31282558
5-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)furan-2-carboxamide
CID 30138650

Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-quinoline-3-carboxamide?
The IUPAC name of 8-chloro-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-quinoline-3-carboxamide (CID 71708653) is 8-chloro-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for 8-chloro-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-quinoline-3-carboxamide?
The canonical SMILES for 8-chloro-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-quinoline-3-carboxamide is O=C(NCc1nnc2ccccn12)c1c[nH]c2c(Cl)cccc2c1=O.
What is the InChIKey of 8-chloro-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-quinoline-3-carboxamide?
The InChIKey is BCTDXAGJQDFKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5O2/c18-12-5-3-4-10-15(12)19-8-11(16(10)24)17(25)20-9-14-22-21-13-6-1-2-7-23(13)14/h1-8H,9H2,(H,19,24)(H,20,25).
What are the key properties of 8-chloro-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-quinoline-3-carboxamide?
8-chloro-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-quinoline-3-carboxamide has a molecular weight of 353.77 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 71708653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).