[(2S)-2-ethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypentyl]carbamic acid

C23H25N5O3 — CID 67230169

IUPAC[(2S)-2-ethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypentyl]carbamic acid
SMILESCCC(Oc1cccc2ccc(-c3nnc4ccccn34)nc12)[C@@H](CC)CNC(=O)O
InChIInChI=1S/C23H25N5O3/c1-3-15(14-24-23(29)30)18(4-2)31-19-9-7-8-16-11-12-17(25-21(16)19)22-27-26-20-10-5-6-13-28(20)22/h5-13,15,18,24H,3-4,14H2,1-2H3,(H,29,30)/t15-,18?/m0/s1
InChIKeySAYQOTLDJSGBOC-BUSXIPJBSA-N
MW419.49 g/mol
LogP4.40
Rot. Bonds8

About [(2S)-2-ethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypentyl]carbamic acid

[(2S)-2-ethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypentyl]carbamic acid (PubChem CID 67230169) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is [(2S)-2-ethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypentyl]carbamic acid.

Molecular Properties

Compound Name[(2S)-2-ethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypentyl]carbamic acid
PubChem CID67230169
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name[(2S)-2-ethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypentyl]carbamic acid
SMILESCCC(Oc1cccc2ccc(-c3nnc4ccccn34)nc12)[C@@H](CC)CNC(=O)O
InChIInChI=1S/C23H25N5O3/c1-3-15(14-24-23(29)30)18(4-2)31-19-9-7-8-16-11-12-17(25-21(16)19)22-27-26-20-10-5-6-13-28(20)22/h5-13,15,18,24H,3-4,14H2,1-2H3,(H,29,30)/t15-,18?/m0/s1
InChIKeySAYQOTLDJSGBOC-BUSXIPJBSA-N
XLogP4.40
TPSA101.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-ethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxyhexan-1-amine
CID 58303770
4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-1-carboxylic acid
CID 67234704
8-(cyclopentylmethoxy)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline
CID 58303665
4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-2-carboxylic acid
CID 67231057
8-[(3-fluoroazetidin-3-yl)methoxy]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline;dihydrochloride
CID 67233383
8-[(4S,5S)-5-fluoroazepan-4-yl]oxy-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline
CID 67230102
4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]amino]piperidine-1-carboxylic acid
CID 141325023
(2S,4S)-N-methoxy-N-methyl-4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-2-carboxamide;dihydrochloride
CID 86654360
8-(4-ethylhexan-3-yloxy)quinolin-2-amine
CID 10016093
8-[(4-methoxyazepan-4-yl)methoxy]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline;dihydrochloride
CID 67234468
tert-butyl (2S,4S)-2-[methoxy(methyl)carbamoyl]-4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-1-carboxylate
CID 86654359
(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

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-ethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypentyl]carbamic acid?
The IUPAC name of [(2S)-2-ethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypentyl]carbamic acid (CID 67230169) is [(2S)-2-ethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypentyl]carbamic acid.
What is the SMILES notation for [(2S)-2-ethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypentyl]carbamic acid?
The canonical SMILES for [(2S)-2-ethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypentyl]carbamic acid is CCC(Oc1cccc2ccc(-c3nnc4ccccn34)nc12)[C@@H](CC)CNC(=O)O.
What is the InChIKey of [(2S)-2-ethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypentyl]carbamic acid?
The InChIKey is SAYQOTLDJSGBOC-BUSXIPJBSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-3-15(14-24-23(29)30)18(4-2)31-19-9-7-8-16-11-12-17(25-21(16)19)22-27-26-20-10-5-6-13-28(20)22/h5-13,15,18,24H,3-4,14H2,1-2H3,(H,29,30)/t15-,18?/m0/s1.
What are the key properties of [(2S)-2-ethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypentyl]carbamic acid?
[(2S)-2-ethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypentyl]carbamic acid has a molecular weight of 419.49 g/mol, XLogP of 4.40, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-ethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypentyl]carbamic acid is sourced from PubChem (CID 67230169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).