6-chloro-4-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-quinoline-3-carboxamide

C18H14ClN5O2 — CID 91639464

IUPAC6-chloro-4-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-quinoline-3-carboxamide
SMILESO=C(NCCc1nnc2ccccn12)c1c[nH]c2ccc(Cl)cc2c1=O
InChIInChI=1S/C18H14ClN5O2/c19-11-4-5-14-12(9-11)17(25)13(10-21-14)18(26)20-7-6-16-23-22-15-3-1-2-8-24(15)16/h1-5,8-10H,6-7H2,(H,20,26)(H,21,25)
InChIKeyVIDRUFLNZDUAPN-UHFFFAOYSA-N
MW367.80 g/mol
LogP2.20
Rot. Bonds4

About 6-chloro-4-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-quinoline-3-carboxamide

6-chloro-4-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-quinoline-3-carboxamide (PubChem CID 91639464) has the molecular formula C18H14ClN5O2 and a molecular weight of 367.80 g/mol. Its IUPAC name is 6-chloro-4-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-chloro-4-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-quinoline-3-carboxamide
PubChem CID91639464
Molecular FormulaC18H14ClN5O2
Molecular Weight367.80 g/mol
Exact Mass367.08
IUPAC Name6-chloro-4-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-quinoline-3-carboxamide
SMILESO=C(NCCc1nnc2ccccn12)c1c[nH]c2ccc(Cl)cc2c1=O
InChIInChI=1S/C18H14ClN5O2/c19-11-4-5-14-12(9-11)17(25)13(10-21-14)18(26)20-7-6-16-23-22-15-3-1-2-8-24(15)16/h1-5,8-10H,6-7H2,(H,20,26)(H,21,25)
InChIKeyVIDRUFLNZDUAPN-UHFFFAOYSA-N
XLogP2.20
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.80
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-quinoline-3-carboxamide?
The IUPAC name of 6-chloro-4-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-quinoline-3-carboxamide (CID 91639464) is 6-chloro-4-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-chloro-4-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-chloro-4-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-quinoline-3-carboxamide is O=C(NCCc1nnc2ccccn12)c1c[nH]c2ccc(Cl)cc2c1=O.
What is the InChIKey of 6-chloro-4-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-quinoline-3-carboxamide?
The InChIKey is VIDRUFLNZDUAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O2/c19-11-4-5-14-12(9-11)17(25)13(10-21-14)18(26)20-7-6-16-23-22-15-3-1-2-8-24(15)16/h1-5,8-10H,6-7H2,(H,20,26)(H,21,25).
What are the key properties of 6-chloro-4-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-quinoline-3-carboxamide?
6-chloro-4-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-quinoline-3-carboxamide has a molecular weight of 367.80 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-quinoline-3-carboxamide is sourced from PubChem (CID 91639464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).