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

C18H14FN5O2 — CID 124896589

IUPAC8-fluoro-4-oxo-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-quinoline-3-carboxamide
SMILESC[C@@H](NC(=O)c1c[nH]c2c(F)cccc2c1=O)c1nnc2ccccn12
InChIInChI=1S/C18H14FN5O2/c1-10(17-23-22-14-7-2-3-8-24(14)17)21-18(26)12-9-20-15-11(16(12)25)5-4-6-13(15)19/h2-10H,1H3,(H,20,25)(H,21,26)/t10-/m1/s1
InChIKeyVBILLDNLNVVJLV-SNVBAGLBSA-N
MW351.34 g/mol
LogP2.20
Rot. Bonds3

About 8-fluoro-4-oxo-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-quinoline-3-carboxamide

8-fluoro-4-oxo-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-quinoline-3-carboxamide (PubChem CID 124896589) has the molecular formula C18H14FN5O2 and a molecular weight of 351.34 g/mol. Its IUPAC name is 8-fluoro-4-oxo-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name8-fluoro-4-oxo-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-quinoline-3-carboxamide
PubChem CID124896589
Molecular FormulaC18H14FN5O2
Molecular Weight351.34 g/mol
Exact Mass351.11
IUPAC Name8-fluoro-4-oxo-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-quinoline-3-carboxamide
SMILESC[C@@H](NC(=O)c1c[nH]c2c(F)cccc2c1=O)c1nnc2ccccn12
InChIInChI=1S/C18H14FN5O2/c1-10(17-23-22-14-7-2-3-8-24(14)17)21-18(26)12-9-20-15-11(16(12)25)5-4-6-13(15)19/h2-10H,1H3,(H,20,25)(H,21,26)/t10-/m1/s1
InChIKeyVBILLDNLNVVJLV-SNVBAGLBSA-N
XLogP2.20
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 8-fluoro-4-oxo-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-quinoline-3-carboxamide with MolForge

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Related Compounds

6-chloro-4-oxo-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-quinoline-3-carboxamide
CID 91823513
7-methoxy-4-oxo-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-quinoline-3-carboxamide
CID 122714938
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]naphthalene-1-carboxamide
CID 47013032
8-methoxy-N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-oxo-1H-quinoline-3-carboxamide
CID 91639942
2-oxo-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyridine-4-carboxamide
CID 103762817
4-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 47013078
2-(difluoromethoxy)-3-methoxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 134030653
8-chloro-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-quinoline-3-carboxamide
CID 71708653
2,2-diphenyl-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 7692945
1-methoxy-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]isoquinoline-3-carboxamide
CID 96543572
6-fluoro-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-oxo-1H-quinoline-3-carboxamide
CID 91820876
2,2,2-trifluoro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 62492143

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-oxo-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-quinoline-3-carboxamide?
The IUPAC name of 8-fluoro-4-oxo-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-quinoline-3-carboxamide (CID 124896589) is 8-fluoro-4-oxo-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-quinoline-3-carboxamide.
What is the SMILES notation for 8-fluoro-4-oxo-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-quinoline-3-carboxamide?
The canonical SMILES for 8-fluoro-4-oxo-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-quinoline-3-carboxamide is C[C@@H](NC(=O)c1c[nH]c2c(F)cccc2c1=O)c1nnc2ccccn12.
What is the InChIKey of 8-fluoro-4-oxo-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-quinoline-3-carboxamide?
The InChIKey is VBILLDNLNVVJLV-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H14FN5O2/c1-10(17-23-22-14-7-2-3-8-24(14)17)21-18(26)12-9-20-15-11(16(12)25)5-4-6-13(15)19/h2-10H,1H3,(H,20,25)(H,21,26)/t10-/m1/s1.
What are the key properties of 8-fluoro-4-oxo-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-quinoline-3-carboxamide?
8-fluoro-4-oxo-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-quinoline-3-carboxamide has a molecular weight of 351.34 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-oxo-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-quinoline-3-carboxamide is sourced from PubChem (CID 124896589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).