7-methyl-2-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]quinoline

C25H29N3O2 — CID 54670677

IUPAC7-methyl-2-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]quinoline
SMILESCc1ccc2ccc(N3CCC(Oc4ncccc4C4CCOCC4)CC3)nc2c1
InChIInChI=1S/C25H29N3O2/c1-18-4-5-20-6-7-24(27-23(20)17-18)28-13-8-21(9-14-28)30-25-22(3-2-12-26-25)19-10-15-29-16-11-19/h2-7,12,17,19,21H,8-11,13-16H2,1H3
InChIKeyKJYSVZSWBZYLLT-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.88
Rot. Bonds4

About 7-methyl-2-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]quinoline

7-methyl-2-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]quinoline (PubChem CID 54670677) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 7-methyl-2-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]quinoline.

Molecular Properties

Compound Name7-methyl-2-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]quinoline
PubChem CID54670677
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name7-methyl-2-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]quinoline
SMILESCc1ccc2ccc(N3CCC(Oc4ncccc4C4CCOCC4)CC3)nc2c1
InChIInChI=1S/C25H29N3O2/c1-18-4-5-20-6-7-24(27-23(20)17-18)28-13-8-21(9-14-28)30-25-22(3-2-12-26-25)19-10-15-29-16-11-19/h2-7,12,17,19,21H,8-11,13-16H2,1H3
InChIKeyKJYSVZSWBZYLLT-UHFFFAOYSA-N
XLogP4.88
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]quinoline?
The IUPAC name of 7-methyl-2-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]quinoline (CID 54670677) is 7-methyl-2-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]quinoline.
What is the SMILES notation for 7-methyl-2-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]quinoline?
The canonical SMILES for 7-methyl-2-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]quinoline is Cc1ccc2ccc(N3CCC(Oc4ncccc4C4CCOCC4)CC3)nc2c1.
What is the InChIKey of 7-methyl-2-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]quinoline?
The InChIKey is KJYSVZSWBZYLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-18-4-5-20-6-7-24(27-23(20)17-18)28-13-8-21(9-14-28)30-25-22(3-2-12-26-25)19-10-15-29-16-11-19/h2-7,12,17,19,21H,8-11,13-16H2,1H3.
What are the key properties of 7-methyl-2-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]quinoline?
7-methyl-2-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]quinoline has a molecular weight of 403.53 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]quinoline is sourced from PubChem (CID 54670677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).