2-(1-methylazetidin-3-yl)-1-(2-phenylquinolin-4-yl)ethanone

C21H20N2O — CID 160950285

IUPAC2-(1-methylazetidin-3-yl)-1-(2-phenylquinolin-4-yl)ethanone
SMILESCN1CC(CC(=O)c2cc(-c3ccccc3)nc3ccccc23)C1
InChIInChI=1S/C21H20N2O/c1-23-13-15(14-23)11-21(24)18-12-20(16-7-3-2-4-8-16)22-19-10-6-5-9-17(18)19/h2-10,12,15H,11,13-14H2,1H3
InChIKeySVQYIVOQWVCUGQ-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.04
Rot. Bonds4

About 2-(1-methylazetidin-3-yl)-1-(2-phenylquinolin-4-yl)ethanone

2-(1-methylazetidin-3-yl)-1-(2-phenylquinolin-4-yl)ethanone (PubChem CID 160950285) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-(1-methylazetidin-3-yl)-1-(2-phenylquinolin-4-yl)ethanone.

Molecular Properties

Compound Name2-(1-methylazetidin-3-yl)-1-(2-phenylquinolin-4-yl)ethanone
PubChem CID160950285
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name2-(1-methylazetidin-3-yl)-1-(2-phenylquinolin-4-yl)ethanone
SMILESCN1CC(CC(=O)c2cc(-c3ccccc3)nc3ccccc23)C1
InChIInChI=1S/C21H20N2O/c1-23-13-15(14-23)11-21(24)18-12-20(16-7-3-2-4-8-16)22-19-10-6-5-9-17(18)19/h2-10,12,15H,11,13-14H2,1H3
InChIKeySVQYIVOQWVCUGQ-UHFFFAOYSA-N
XLogP4.04
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(1-methylazetidin-3-yl)-1-(2-phenylquinolin-4-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-phenylquinolin-4-yl)-2-piperidin-3-ylethanone
CID 12799874
europium;2-phenylquinoline-4-carboxylic acid
CID 87730786
4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1)
CID 167996008
bis(cyclopentane);bis(2-phenylquinoline-4-carboxylic acid);titanium(2+)
CID 135850214
1-(2-phenylquinolin-4-yl)heptan-1-one
CID 159379638
(2,6-dimethylmorpholin-4-yl)-(2-phenylquinolin-4-yl)methanone
CID 2873550
[3-(methylaminomethyl)pyrrolidin-1-yl]-(2-phenylquinolin-4-yl)methanone
CID 119542238
1-(2-methylphenyl)-2-(2-phenylquinolin-4-yl)ethanone
CID 135034333
(2,6-dimethylpiperidin-1-yl)-(2-phenylquinolin-4-yl)methanone
CID 4224556
2-phenylquinoline-4-carboxylic acid;prop-1-ene
CID 143187114
ethanol;bis(europium(3+));hexakis(2-phenylquinoline-4-carboxylate)
CID 139141812
sodium 2-phenylquinoline-4-carboxylate
CID 23691042

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylazetidin-3-yl)-1-(2-phenylquinolin-4-yl)ethanone?
The IUPAC name of 2-(1-methylazetidin-3-yl)-1-(2-phenylquinolin-4-yl)ethanone (CID 160950285) is 2-(1-methylazetidin-3-yl)-1-(2-phenylquinolin-4-yl)ethanone.
What is the SMILES notation for 2-(1-methylazetidin-3-yl)-1-(2-phenylquinolin-4-yl)ethanone?
The canonical SMILES for 2-(1-methylazetidin-3-yl)-1-(2-phenylquinolin-4-yl)ethanone is CN1CC(CC(=O)c2cc(-c3ccccc3)nc3ccccc23)C1.
What is the InChIKey of 2-(1-methylazetidin-3-yl)-1-(2-phenylquinolin-4-yl)ethanone?
The InChIKey is SVQYIVOQWVCUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c1-23-13-15(14-23)11-21(24)18-12-20(16-7-3-2-4-8-16)22-19-10-6-5-9-17(18)19/h2-10,12,15H,11,13-14H2,1H3.
What are the key properties of 2-(1-methylazetidin-3-yl)-1-(2-phenylquinolin-4-yl)ethanone?
2-(1-methylazetidin-3-yl)-1-(2-phenylquinolin-4-yl)ethanone has a molecular weight of 316.40 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylazetidin-3-yl)-1-(2-phenylquinolin-4-yl)ethanone is sourced from PubChem (CID 160950285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).