azetidin-1-yl-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone

C21H27N3O2 — CID 11508633

IUPACazetidin-1-yl-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone
SMILESCC(C)N1CCC(Oc2ccc3nc(C(=O)N4CCC4)ccc3c2)CC1
InChIInChI=1S/C21H27N3O2/c1-15(2)23-12-8-17(9-13-23)26-18-5-7-19-16(14-18)4-6-20(22-19)21(25)24-10-3-11-24/h4-7,14-15,17H,3,8-13H2,1-2H3
InChIKeyOWOADWGCGVNNNV-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.33
Rot. Bonds4

About azetidin-1-yl-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone

azetidin-1-yl-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone (PubChem CID 11508633) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is azetidin-1-yl-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone.

Molecular Properties

Compound Nameazetidin-1-yl-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone
PubChem CID11508633
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Nameazetidin-1-yl-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone
SMILESCC(C)N1CCC(Oc2ccc3nc(C(=O)N4CCC4)ccc3c2)CC1
InChIInChI=1S/C21H27N3O2/c1-15(2)23-12-8-17(9-13-23)26-18-5-7-19-16(14-18)4-6-20(22-19)21(25)24-10-3-11-24/h4-7,14-15,17H,3,8-13H2,1-2H3
InChIKeyOWOADWGCGVNNNV-UHFFFAOYSA-N
XLogP3.33
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone?
The IUPAC name of azetidin-1-yl-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone (CID 11508633) is azetidin-1-yl-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone.
What is the SMILES notation for azetidin-1-yl-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone?
The canonical SMILES for azetidin-1-yl-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone is CC(C)N1CCC(Oc2ccc3nc(C(=O)N4CCC4)ccc3c2)CC1.
What is the InChIKey of azetidin-1-yl-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone?
The InChIKey is OWOADWGCGVNNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-15(2)23-12-8-17(9-13-23)26-18-5-7-19-16(14-18)4-6-20(22-19)21(25)24-10-3-11-24/h4-7,14-15,17H,3,8-13H2,1-2H3.
What are the key properties of azetidin-1-yl-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone?
azetidin-1-yl-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone has a molecular weight of 353.47 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone is sourced from PubChem (CID 11508633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).