7-ethoxy-6-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline

C17H13FN4O — CID 141434528

IUPAC7-ethoxy-6-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline
SMILESCCOc1cc2nc(-c3nnc4ccccn34)ccc2cc1F
InChIInChI=1S/C17H13FN4O/c1-2-23-15-10-14-11(9-12(15)18)6-7-13(19-14)17-21-20-16-5-3-4-8-22(16)17/h3-10H,2H2,1H3
InChIKeyWCHKQUBCHJSAFK-UHFFFAOYSA-N
MW308.32 g/mol
LogP3.48
Rot. Bonds3

About 7-ethoxy-6-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline

7-ethoxy-6-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline (PubChem CID 141434528) has the molecular formula C17H13FN4O and a molecular weight of 308.32 g/mol. Its IUPAC name is 7-ethoxy-6-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline.

Molecular Properties

Compound Name7-ethoxy-6-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline
PubChem CID141434528
Molecular FormulaC17H13FN4O
Molecular Weight308.32 g/mol
Exact Mass308.11
IUPAC Name7-ethoxy-6-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline
SMILESCCOc1cc2nc(-c3nnc4ccccn34)ccc2cc1F
InChIInChI=1S/C17H13FN4O/c1-2-23-15-10-14-11(9-12(15)18)6-7-13(19-14)17-21-20-16-5-3-4-8-22(16)17/h3-10H,2H2,1H3
InChIKeyWCHKQUBCHJSAFK-UHFFFAOYSA-N
XLogP3.48
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-ethoxy-6-fluoro-2-[6-[(1R)-2,2,2-trifluoro-1-pyrrolidin-1-ylethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline
CID 71004794
1-[(1R)-1-[3-(7-ethoxy-6-fluoroquinolin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2,2,2-trifluoroethyl]-3-methylpyrrolidin-3-amine;dihydrochloride
CID 118510380
8-(cyclopentylmethoxy)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline
CID 58303665
(1R,3R,4R)-4-[1-[6-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxy-2-methylpropan-2-yl]-2,2-dimethylcyclopentane-1,3-diol
CID 141261022
4,5-difluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
CID 62865900
(2S)-2-ethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxyhexan-1-amine
CID 58303770
8-[(3-fluoroazetidin-3-yl)methoxy]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline;dihydrochloride
CID 67233383
2-[4-[[6-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxymethyl]-4-methoxyazepan-1-yl]ethanol
CID 58303661
tert-butyl N-pyrrolidin-3-yl-N-[2,2,2-trifluoro-1-[3-[6-fluoro-7-(2-hydroxyethoxy)quinolin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]ethyl]carbamate
CID 123859927
[(2S)-2-ethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypentyl]carbamic acid
CID 67230169
(3R,4S)-4-[(2R)-2-chloropropoxy]-1-[(1R)-2,2,2-trifluoro-1-[3-(6-fluoro-7-methoxyquinolin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]ethyl]pyrrolidin-3-amine
CID 148881771
1,4-diethoxy-2,5-difluorobenzene
CID 58718970

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-6-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline?
The IUPAC name of 7-ethoxy-6-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline (CID 141434528) is 7-ethoxy-6-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline.
What is the SMILES notation for 7-ethoxy-6-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline?
The canonical SMILES for 7-ethoxy-6-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline is CCOc1cc2nc(-c3nnc4ccccn34)ccc2cc1F.
What is the InChIKey of 7-ethoxy-6-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline?
The InChIKey is WCHKQUBCHJSAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O/c1-2-23-15-10-14-11(9-12(15)18)6-7-13(19-14)17-21-20-16-5-3-4-8-22(16)17/h3-10H,2H2,1H3.
What are the key properties of 7-ethoxy-6-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline?
7-ethoxy-6-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline has a molecular weight of 308.32 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-6-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline is sourced from PubChem (CID 141434528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).