[4-[[3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]piperidin-1-yl]-quinolin-2-ylmethanone

C26H24N4O2 — CID 58547739

IUPAC[4-[[3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]piperidin-1-yl]-quinolin-2-ylmethanone
SMILESCc1cc(-c2cccnc2OC2CCN(C(=O)c3ccc4ccccc4n3)CC2)ccn1
InChIInChI=1S/C26H24N4O2/c1-18-17-20(10-14-27-18)22-6-4-13-28-25(22)32-21-11-15-30(16-12-21)26(31)24-9-8-19-5-2-3-7-23(19)29-24/h2-10,13-14,17,21H,11-12,15-16H2,1H3
InChIKeyLTAGFRBYDDSGMV-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.68
Rot. Bonds4

About [4-[[3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]piperidin-1-yl]-quinolin-2-ylmethanone

[4-[[3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]piperidin-1-yl]-quinolin-2-ylmethanone (PubChem CID 58547739) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is [4-[[3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]piperidin-1-yl]-quinolin-2-ylmethanone.

Molecular Properties

Compound Name[4-[[3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]piperidin-1-yl]-quinolin-2-ylmethanone
PubChem CID58547739
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name[4-[[3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]piperidin-1-yl]-quinolin-2-ylmethanone
SMILESCc1cc(-c2cccnc2OC2CCN(C(=O)c3ccc4ccccc4n3)CC2)ccn1
InChIInChI=1S/C26H24N4O2/c1-18-17-20(10-14-27-18)22-6-4-13-28-25(22)32-21-11-15-30(16-12-21)26(31)24-9-8-19-5-2-3-7-23(19)29-24/h2-10,13-14,17,21H,11-12,15-16H2,1H3
InChIKeyLTAGFRBYDDSGMV-UHFFFAOYSA-N
XLogP4.68
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]piperidin-1-yl]-quinolin-2-ylmethanone?
The IUPAC name of [4-[[3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]piperidin-1-yl]-quinolin-2-ylmethanone (CID 58547739) is [4-[[3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]piperidin-1-yl]-quinolin-2-ylmethanone.
What is the SMILES notation for [4-[[3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]piperidin-1-yl]-quinolin-2-ylmethanone?
The canonical SMILES for [4-[[3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]piperidin-1-yl]-quinolin-2-ylmethanone is Cc1cc(-c2cccnc2OC2CCN(C(=O)c3ccc4ccccc4n3)CC2)ccn1.
What is the InChIKey of [4-[[3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]piperidin-1-yl]-quinolin-2-ylmethanone?
The InChIKey is LTAGFRBYDDSGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-18-17-20(10-14-27-18)22-6-4-13-28-25(22)32-21-11-15-30(16-12-21)26(31)24-9-8-19-5-2-3-7-23(19)29-24/h2-10,13-14,17,21H,11-12,15-16H2,1H3.
What are the key properties of [4-[[3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]piperidin-1-yl]-quinolin-2-ylmethanone?
[4-[[3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]piperidin-1-yl]-quinolin-2-ylmethanone has a molecular weight of 424.50 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]piperidin-1-yl]-quinolin-2-ylmethanone is sourced from PubChem (CID 58547739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).