2-[3-[2-oxo-2-(3-quinolin-7-yloxyazetidin-1-yl)ethyl]phenoxy]acetonitrile

C22H19N3O3 — CID 166389409

IUPAC2-[3-[2-oxo-2-(3-quinolin-7-yloxyazetidin-1-yl)ethyl]phenoxy]acetonitrile
SMILESN#CCOc1cccc(CC(=O)N2CC(Oc3ccc4cccnc4c3)C2)c1
InChIInChI=1S/C22H19N3O3/c23-8-10-27-18-5-1-3-16(11-18)12-22(26)25-14-20(15-25)28-19-7-6-17-4-2-9-24-21(17)13-19/h1-7,9,11,13,20H,10,12,14-15H2
InChIKeyLRPMLRMPVPTYDX-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.97
Rot. Bonds6

About 2-[3-[2-oxo-2-(3-quinolin-7-yloxyazetidin-1-yl)ethyl]phenoxy]acetonitrile

2-[3-[2-oxo-2-(3-quinolin-7-yloxyazetidin-1-yl)ethyl]phenoxy]acetonitrile (PubChem CID 166389409) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-[3-[2-oxo-2-(3-quinolin-7-yloxyazetidin-1-yl)ethyl]phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[3-[2-oxo-2-(3-quinolin-7-yloxyazetidin-1-yl)ethyl]phenoxy]acetonitrile
PubChem CID166389409
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name2-[3-[2-oxo-2-(3-quinolin-7-yloxyazetidin-1-yl)ethyl]phenoxy]acetonitrile
SMILESN#CCOc1cccc(CC(=O)N2CC(Oc3ccc4cccnc4c3)C2)c1
InChIInChI=1S/C22H19N3O3/c23-8-10-27-18-5-1-3-16(11-18)12-22(26)25-14-20(15-25)28-19-7-6-17-4-2-9-24-21(17)13-19/h1-7,9,11,13,20H,10,12,14-15H2
InChIKeyLRPMLRMPVPTYDX-UHFFFAOYSA-N
XLogP2.97
TPSA75.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-[2-oxo-2-(3-quinolin-7-yloxyazetidin-1-yl)ethyl]phenoxy]acetonitrile with MolForge

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Related Compounds

2-(3-methoxyphenyl)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]ethanone
CID 90627458
2-quinolin-6-yloxyacetonitrile
CID 70448045
7-(1-naphthalen-2-ylsulfonylazetidin-3-yl)oxyquinoline
CID 167965181
1-piperazin-1-yl-2-quinolin-7-yloxyethanone
CID 107313752
1-(3-pyridin-4-yloxyazetidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 155800940
2-(3-methoxyphenyl)-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]ethanone
CID 91905478
1-[3-(3-chlorophenyl)azetidin-1-yl]-2-quinolin-6-ylethanone
CID 167832627
2-pyridin-3-yl-1-[(3S)-3-quinolin-8-yloxypyrrolidin-1-yl]ethanone
CID 124760974
3-chloro-N-(4-quinolin-7-yloxybut-2-ynyl)propanamide
CID 90580076
7-[2-(4-phenoxypiperidin-1-yl)ethoxy]quinoline
CID 134242877
1-cyclopropyl-6-methyl-4-[1-(2-pyridin-3-ylacetyl)azetidin-3-yl]oxypyridin-2-one
CID 91814917
2-(3-methoxyphenyl)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 90638339

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-oxo-2-(3-quinolin-7-yloxyazetidin-1-yl)ethyl]phenoxy]acetonitrile?
The IUPAC name of 2-[3-[2-oxo-2-(3-quinolin-7-yloxyazetidin-1-yl)ethyl]phenoxy]acetonitrile (CID 166389409) is 2-[3-[2-oxo-2-(3-quinolin-7-yloxyazetidin-1-yl)ethyl]phenoxy]acetonitrile.
What is the SMILES notation for 2-[3-[2-oxo-2-(3-quinolin-7-yloxyazetidin-1-yl)ethyl]phenoxy]acetonitrile?
The canonical SMILES for 2-[3-[2-oxo-2-(3-quinolin-7-yloxyazetidin-1-yl)ethyl]phenoxy]acetonitrile is N#CCOc1cccc(CC(=O)N2CC(Oc3ccc4cccnc4c3)C2)c1.
What is the InChIKey of 2-[3-[2-oxo-2-(3-quinolin-7-yloxyazetidin-1-yl)ethyl]phenoxy]acetonitrile?
The InChIKey is LRPMLRMPVPTYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c23-8-10-27-18-5-1-3-16(11-18)12-22(26)25-14-20(15-25)28-19-7-6-17-4-2-9-24-21(17)13-19/h1-7,9,11,13,20H,10,12,14-15H2.
What are the key properties of 2-[3-[2-oxo-2-(3-quinolin-7-yloxyazetidin-1-yl)ethyl]phenoxy]acetonitrile?
2-[3-[2-oxo-2-(3-quinolin-7-yloxyazetidin-1-yl)ethyl]phenoxy]acetonitrile has a molecular weight of 373.41 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-oxo-2-(3-quinolin-7-yloxyazetidin-1-yl)ethyl]phenoxy]acetonitrile is sourced from PubChem (CID 166389409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).