azetidin-1-yl-[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone

C21H27N3O2 — CID 11617313

IUPACazetidin-1-yl-[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone
SMILESO=C(c1ccc2cc(OCCCN3CCCCC3)ccc2n1)N1CCC1
InChIInChI=1S/C21H27N3O2/c25-21(24-13-4-14-24)20-8-6-17-16-18(7-9-19(17)22-20)26-15-5-12-23-10-2-1-3-11-23/h6-9,16H,1-5,10-15H2
InChIKeyUKNFAYKMVKYMSA-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.34
Rot. Bonds6

About azetidin-1-yl-[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone

azetidin-1-yl-[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone (PubChem CID 11617313) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is azetidin-1-yl-[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone.

Molecular Properties

Compound Nameazetidin-1-yl-[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone
PubChem CID11617313
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Nameazetidin-1-yl-[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone
SMILESO=C(c1ccc2cc(OCCCN3CCCCC3)ccc2n1)N1CCC1
InChIInChI=1S/C21H27N3O2/c25-21(24-13-4-14-24)20-8-6-17-16-18(7-9-19(17)22-20)26-15-5-12-23-10-2-1-3-11-23/h6-9,16H,1-5,10-15H2
InChIKeyUKNFAYKMVKYMSA-UHFFFAOYSA-N
XLogP3.34
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone?
The IUPAC name of azetidin-1-yl-[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone (CID 11617313) is azetidin-1-yl-[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone.
What is the SMILES notation for azetidin-1-yl-[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone?
The canonical SMILES for azetidin-1-yl-[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone is O=C(c1ccc2cc(OCCCN3CCCCC3)ccc2n1)N1CCC1.
What is the InChIKey of azetidin-1-yl-[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone?
The InChIKey is UKNFAYKMVKYMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c25-21(24-13-4-14-24)20-8-6-17-16-18(7-9-19(17)22-20)26-15-5-12-23-10-2-1-3-11-23/h6-9,16H,1-5,10-15H2.
What are the key properties of azetidin-1-yl-[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone?
azetidin-1-yl-[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone has a molecular weight of 353.47 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone is sourced from PubChem (CID 11617313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).