(4-methoxyphenyl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone

C20H18N2O3 — CID 122250286

IUPAC(4-methoxyphenyl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CC(Oc3ccc4ccccc4n3)C2)cc1
InChIInChI=1S/C20H18N2O3/c1-24-16-9-6-15(7-10-16)20(23)22-12-17(13-22)25-19-11-8-14-4-2-3-5-18(14)21-19/h2-11,17H,12-13H2,1H3
InChIKeyMHSFEMQTYAGDPK-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.15
Rot. Bonds4

About (4-methoxyphenyl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone

(4-methoxyphenyl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone (PubChem CID 122250286) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is (4-methoxyphenyl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone
PubChem CID122250286
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name(4-methoxyphenyl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CC(Oc3ccc4ccccc4n3)C2)cc1
InChIInChI=1S/C20H18N2O3/c1-24-16-9-6-15(7-10-16)20(23)22-12-17(13-22)25-19-11-8-14-4-2-3-5-18(14)21-19/h2-11,17H,12-13H2,1H3
InChIKeyMHSFEMQTYAGDPK-UHFFFAOYSA-N
XLogP3.15
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

pyridin-3-yl-(3-quinolin-2-yloxyazetidin-1-yl)methanone
CID 122250415
N-[(4-methoxyphenyl)methyl]-3-quinolin-2-yloxyazetidine-1-carboxamide
CID 122250572
(2-fluorophenyl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone
CID 122250299
(3-fluoro-4-methoxyphenyl)-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone
CID 91815865
4-(3-quinolin-2-yloxypyrrolidine-1-carbonyl)benzonitrile
CID 91815852
1,2-oxazol-5-yl-(3-quinolin-2-yloxyazetidin-1-yl)methanone
CID 122250187
1H-indol-2-yl-(3-quinolin-2-yloxyazetidin-1-yl)methanone
CID 122250203
(4-methylpiperazin-1-yl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone
CID 122250593
3-chloro-1-(3-quinolin-2-yloxyazetidin-1-yl)propan-1-one
CID 122250273
(4-morpholin-4-ylphenyl)-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone
CID 91815867
(3-quinolin-2-yloxyazetidin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 122250188
(5-bromo-2-chlorophenyl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone
CID 122250314

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone?
The IUPAC name of (4-methoxyphenyl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone (CID 122250286) is (4-methoxyphenyl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone.
What is the SMILES notation for (4-methoxyphenyl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone?
The canonical SMILES for (4-methoxyphenyl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone is COc1ccc(C(=O)N2CC(Oc3ccc4ccccc4n3)C2)cc1.
What is the InChIKey of (4-methoxyphenyl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone?
The InChIKey is MHSFEMQTYAGDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-24-16-9-6-15(7-10-16)20(23)22-12-17(13-22)25-19-11-8-14-4-2-3-5-18(14)21-19/h2-11,17H,12-13H2,1H3.
What are the key properties of (4-methoxyphenyl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone?
(4-methoxyphenyl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone has a molecular weight of 334.38 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone is sourced from PubChem (CID 122250286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).