[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[3-(triazol-2-yl)quinolin-2-yl]methanone

C24H22N6O2 — CID 90412558

IUPAC[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[3-(triazol-2-yl)quinolin-2-yl]methanone
SMILESO=C(c1nc2ccccc2cc1-n1nccn1)N1C2CCC1C(COc1ccccn1)C2
InChIInChI=1S/C24H22N6O2/c31-24(23-21(30-26-11-12-27-30)14-16-5-1-2-6-19(16)28-23)29-18-8-9-20(29)17(13-18)15-32-22-7-3-4-10-25-22/h1-7,10-12,14,17-18,20H,8-9,13,15H2
InChIKeyAYJHDWGNHNBJBV-UHFFFAOYSA-N
MW426.48 g/mol
LogP3.28
Rot. Bonds5

About [2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[3-(triazol-2-yl)quinolin-2-yl]methanone

[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[3-(triazol-2-yl)quinolin-2-yl]methanone (PubChem CID 90412558) has the molecular formula C24H22N6O2 and a molecular weight of 426.48 g/mol. Its IUPAC name is [2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[3-(triazol-2-yl)quinolin-2-yl]methanone.

Molecular Properties

Compound Name[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[3-(triazol-2-yl)quinolin-2-yl]methanone
PubChem CID90412558
Molecular FormulaC24H22N6O2
Molecular Weight426.48 g/mol
Exact Mass426.18
IUPAC Name[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[3-(triazol-2-yl)quinolin-2-yl]methanone
SMILESO=C(c1nc2ccccc2cc1-n1nccn1)N1C2CCC1C(COc1ccccn1)C2
InChIInChI=1S/C24H22N6O2/c31-24(23-21(30-26-11-12-27-30)14-16-5-1-2-6-19(16)28-23)29-18-8-9-20(29)17(13-18)15-32-22-7-3-4-10-25-22/h1-7,10-12,14,17-18,20H,8-9,13,15H2
InChIKeyAYJHDWGNHNBJBV-UHFFFAOYSA-N
XLogP3.28
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[3-(triazol-2-yl)quinolin-2-yl]methanone?
The IUPAC name of [2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[3-(triazol-2-yl)quinolin-2-yl]methanone (CID 90412558) is [2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[3-(triazol-2-yl)quinolin-2-yl]methanone.
What is the SMILES notation for [2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[3-(triazol-2-yl)quinolin-2-yl]methanone?
The canonical SMILES for [2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[3-(triazol-2-yl)quinolin-2-yl]methanone is O=C(c1nc2ccccc2cc1-n1nccn1)N1C2CCC1C(COc1ccccn1)C2.
What is the InChIKey of [2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[3-(triazol-2-yl)quinolin-2-yl]methanone?
The InChIKey is AYJHDWGNHNBJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2/c31-24(23-21(30-26-11-12-27-30)14-16-5-1-2-6-19(16)28-23)29-18-8-9-20(29)17(13-18)15-32-22-7-3-4-10-25-22/h1-7,10-12,14,17-18,20H,8-9,13,15H2.
What are the key properties of [2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[3-(triazol-2-yl)quinolin-2-yl]methanone?
[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[3-(triazol-2-yl)quinolin-2-yl]methanone has a molecular weight of 426.48 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[3-(triazol-2-yl)quinolin-2-yl]methanone is sourced from PubChem (CID 90412558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).