8-[(4-methoxypiperidin-4-yl)methoxy]-2-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline

C23H25N5O2 — CID 46174618

IUPAC8-[(4-methoxypiperidin-4-yl)methoxy]-2-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline
SMILESCOC1(COc2cccc3ccc(-c4nnc5cc(C)ccn45)nc23)CCNCC1
InChIInChI=1S/C23H25N5O2/c1-16-8-13-28-20(14-16)26-27-22(28)18-7-6-17-4-3-5-19(21(17)25-18)30-15-23(29-2)9-11-24-12-10-23/h3-8,13-14,24H,9-12,15H2,1-2H3
InChIKeyNTFBHHYDVVRATP-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.40
Rot. Bonds5

About 8-[(4-methoxypiperidin-4-yl)methoxy]-2-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline

8-[(4-methoxypiperidin-4-yl)methoxy]-2-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline (PubChem CID 46174618) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 8-[(4-methoxypiperidin-4-yl)methoxy]-2-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline.

Molecular Properties

Compound Name8-[(4-methoxypiperidin-4-yl)methoxy]-2-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline
PubChem CID46174618
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name8-[(4-methoxypiperidin-4-yl)methoxy]-2-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline
SMILESCOC1(COc2cccc3ccc(-c4nnc5cc(C)ccn45)nc23)CCNCC1
InChIInChI=1S/C23H25N5O2/c1-16-8-13-28-20(14-16)26-27-22(28)18-7-6-17-4-3-5-19(21(17)25-18)30-15-23(29-2)9-11-24-12-10-23/h3-8,13-14,24H,9-12,15H2,1-2H3
InChIKeyNTFBHHYDVVRATP-UHFFFAOYSA-N
XLogP3.40
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-methoxypiperidin-4-yl)methoxy]-2-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline?
The IUPAC name of 8-[(4-methoxypiperidin-4-yl)methoxy]-2-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline (CID 46174618) is 8-[(4-methoxypiperidin-4-yl)methoxy]-2-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline.
What is the SMILES notation for 8-[(4-methoxypiperidin-4-yl)methoxy]-2-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline?
The canonical SMILES for 8-[(4-methoxypiperidin-4-yl)methoxy]-2-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline is COC1(COc2cccc3ccc(-c4nnc5cc(C)ccn45)nc23)CCNCC1.
What is the InChIKey of 8-[(4-methoxypiperidin-4-yl)methoxy]-2-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline?
The InChIKey is NTFBHHYDVVRATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-16-8-13-28-20(14-16)26-27-22(28)18-7-6-17-4-3-5-19(21(17)25-18)30-15-23(29-2)9-11-24-12-10-23/h3-8,13-14,24H,9-12,15H2,1-2H3.
What are the key properties of 8-[(4-methoxypiperidin-4-yl)methoxy]-2-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline?
8-[(4-methoxypiperidin-4-yl)methoxy]-2-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline has a molecular weight of 403.49 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-methoxypiperidin-4-yl)methoxy]-2-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline is sourced from PubChem (CID 46174618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).