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

C25H29N3O2 — CID 58548127

IUPAC4-methyl-2-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]quinoline
SMILESCc1cc(N2CCC(Oc3ncccc3C3CCOCC3)CC2)nc2ccccc12
InChIInChI=1S/C25H29N3O2/c1-18-17-24(27-23-7-3-2-5-21(18)23)28-13-8-20(9-14-28)30-25-22(6-4-12-26-25)19-10-15-29-16-11-19/h2-7,12,17,19-20H,8-11,13-16H2,1H3
InChIKeyNAWAFXUIJMKVJG-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.88
Rot. Bonds4

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

4-methyl-2-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]quinoline (PubChem CID 58548127) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 4-methyl-2-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]quinoline.

Molecular Properties

Compound Name4-methyl-2-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]quinoline
PubChem CID58548127
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name4-methyl-2-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]quinoline
SMILESCc1cc(N2CCC(Oc3ncccc3C3CCOCC3)CC2)nc2ccccc12
InChIInChI=1S/C25H29N3O2/c1-18-17-24(27-23-7-3-2-5-21(18)23)28-13-8-20(9-14-28)30-25-22(6-4-12-26-25)19-10-15-29-16-11-19/h2-7,12,17,19-20H,8-11,13-16H2,1H3
InChIKeyNAWAFXUIJMKVJG-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 4-methyl-2-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]quinoline?
The IUPAC name of 4-methyl-2-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]quinoline (CID 58548127) is 4-methyl-2-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]quinoline.
What is the SMILES notation for 4-methyl-2-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]quinoline?
The canonical SMILES for 4-methyl-2-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]quinoline is Cc1cc(N2CCC(Oc3ncccc3C3CCOCC3)CC2)nc2ccccc12.
What is the InChIKey of 4-methyl-2-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]quinoline?
The InChIKey is NAWAFXUIJMKVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-18-17-24(27-23-7-3-2-5-21(18)23)28-13-8-20(9-14-28)30-25-22(6-4-12-26-25)19-10-15-29-16-11-19/h2-7,12,17,19-20H,8-11,13-16H2,1H3.
What are the key properties of 4-methyl-2-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]quinoline?
4-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 4-methyl-2-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]quinoline is sourced from PubChem (CID 58548127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).