azetidin-1-yl-(6-methoxy-2-phenylquinolin-4-yl)methanone

C20H18N2O2 — CID 9361949

IUPACazetidin-1-yl-(6-methoxy-2-phenylquinolin-4-yl)methanone
SMILESCOc1ccc2nc(-c3ccccc3)cc(C(=O)N3CCC3)c2c1
InChIInChI=1S/C20H18N2O2/c1-24-15-8-9-18-16(12-15)17(20(23)22-10-5-11-22)13-19(21-18)14-6-3-2-4-7-14/h2-4,6-9,12-13H,5,10-11H2,1H3
InChIKeyGSJMZDNBOKHTIJ-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.76
Rot. Bonds3

About azetidin-1-yl-(6-methoxy-2-phenylquinolin-4-yl)methanone

azetidin-1-yl-(6-methoxy-2-phenylquinolin-4-yl)methanone (PubChem CID 9361949) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is azetidin-1-yl-(6-methoxy-2-phenylquinolin-4-yl)methanone.

Molecular Properties

Compound Nameazetidin-1-yl-(6-methoxy-2-phenylquinolin-4-yl)methanone
PubChem CID9361949
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Nameazetidin-1-yl-(6-methoxy-2-phenylquinolin-4-yl)methanone
SMILESCOc1ccc2nc(-c3ccccc3)cc(C(=O)N3CCC3)c2c1
InChIInChI=1S/C20H18N2O2/c1-24-15-8-9-18-16(12-15)17(20(23)22-10-5-11-22)13-19(21-18)14-6-3-2-4-7-14/h2-4,6-9,12-13H,5,10-11H2,1H3
InChIKeyGSJMZDNBOKHTIJ-UHFFFAOYSA-N
XLogP3.76
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-(6-methoxy-2-phenylquinolin-4-yl)methanone?
The IUPAC name of azetidin-1-yl-(6-methoxy-2-phenylquinolin-4-yl)methanone (CID 9361949) is azetidin-1-yl-(6-methoxy-2-phenylquinolin-4-yl)methanone.
What is the SMILES notation for azetidin-1-yl-(6-methoxy-2-phenylquinolin-4-yl)methanone?
The canonical SMILES for azetidin-1-yl-(6-methoxy-2-phenylquinolin-4-yl)methanone is COc1ccc2nc(-c3ccccc3)cc(C(=O)N3CCC3)c2c1.
What is the InChIKey of azetidin-1-yl-(6-methoxy-2-phenylquinolin-4-yl)methanone?
The InChIKey is GSJMZDNBOKHTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-24-15-8-9-18-16(12-15)17(20(23)22-10-5-11-22)13-19(21-18)14-6-3-2-4-7-14/h2-4,6-9,12-13H,5,10-11H2,1H3.
What are the key properties of azetidin-1-yl-(6-methoxy-2-phenylquinolin-4-yl)methanone?
azetidin-1-yl-(6-methoxy-2-phenylquinolin-4-yl)methanone has a molecular weight of 318.38 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-(6-methoxy-2-phenylquinolin-4-yl)methanone is sourced from PubChem (CID 9361949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).