4-[2-(2-bromophenyl)ethyl]-1-quinolin-8-ylazetidin-2-one

C20H17BrN2O — CID 146659598

IUPAC4-[2-(2-bromophenyl)ethyl]-1-quinolin-8-ylazetidin-2-one
SMILESO=C1CC(CCc2ccccc2Br)N1c1cccc2cccnc12
InChIInChI=1S/C20H17BrN2O/c21-17-8-2-1-5-14(17)10-11-16-13-19(24)23(16)18-9-3-6-15-7-4-12-22-20(15)18/h1-9,12,16H,10-11,13H2
InChIKeyLKYSZZYQVCRQMU-UHFFFAOYSA-N
MW381.27 g/mol
LogP4.74
Rot. Bonds4

About 4-[2-(2-bromophenyl)ethyl]-1-quinolin-8-ylazetidin-2-one

4-[2-(2-bromophenyl)ethyl]-1-quinolin-8-ylazetidin-2-one (PubChem CID 146659598) has the molecular formula C20H17BrN2O and a molecular weight of 381.27 g/mol. Its IUPAC name is 4-[2-(2-bromophenyl)ethyl]-1-quinolin-8-ylazetidin-2-one.

Molecular Properties

Compound Name4-[2-(2-bromophenyl)ethyl]-1-quinolin-8-ylazetidin-2-one
PubChem CID146659598
Molecular FormulaC20H17BrN2O
Molecular Weight381.27 g/mol
Exact Mass380.05
IUPAC Name4-[2-(2-bromophenyl)ethyl]-1-quinolin-8-ylazetidin-2-one
SMILESO=C1CC(CCc2ccccc2Br)N1c1cccc2cccnc12
InChIInChI=1S/C20H17BrN2O/c21-17-8-2-1-5-14(17)10-11-16-13-19(24)23(16)18-9-3-6-15-7-4-12-22-20(15)18/h1-9,12,16H,10-11,13H2
InChIKeyLKYSZZYQVCRQMU-UHFFFAOYSA-N
XLogP4.74
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.27
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[2-(2-bromophenyl)ethyl]-1-quinolin-8-ylazetidin-2-one 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-quinolin-8-yl-4-[2-[3-(trifluoromethyl)phenyl]ethyl]azetidin-2-one
CID 162464522
4-[2-(3-methylphenyl)ethyl]-1-quinolin-8-ylazetidin-2-one;N-quinolin-8-ylbut-3-enamide;1,3-xylene
CID 157432545
(3R,4S)-4-ethyl-3-propyl-1-quinolin-8-ylazetidin-2-one
CID 73426869
4-(3-fluorophenyl)-1-quinolin-8-ylazetidin-2-one
CID 73426556
4-chloro-1-quinolin-8-ylpyrrolidin-2-one
CID 168689599
4-quinolin-8-yl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]isoquinolin-5-one
CID 134847462
4-[2-(3-fluorophenyl)ethyl]-1-quinolin-8-ylazetidin-2-one;1-methyl-3-(trifluoromethyl)benzene;prop-1-yne;N-quinolin-8-ylbut-3-enamide
CID 159138390
3-quinolin-8-ylimidazolidine-2,4-dione
CID 106702916
5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
CID 168698201
1-(quinolin-8-ylmethyl)indole-2,3-dione
CID 3008305
4-(2-quinolin-8-ylethyl)piperazine-2,6-dione
CID 81424068
2-bromo-N-(quinolin-8-ylmethyl)aniline
CID 28616025

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-bromophenyl)ethyl]-1-quinolin-8-ylazetidin-2-one?
The IUPAC name of 4-[2-(2-bromophenyl)ethyl]-1-quinolin-8-ylazetidin-2-one (CID 146659598) is 4-[2-(2-bromophenyl)ethyl]-1-quinolin-8-ylazetidin-2-one.
What is the SMILES notation for 4-[2-(2-bromophenyl)ethyl]-1-quinolin-8-ylazetidin-2-one?
The canonical SMILES for 4-[2-(2-bromophenyl)ethyl]-1-quinolin-8-ylazetidin-2-one is O=C1CC(CCc2ccccc2Br)N1c1cccc2cccnc12.
What is the InChIKey of 4-[2-(2-bromophenyl)ethyl]-1-quinolin-8-ylazetidin-2-one?
The InChIKey is LKYSZZYQVCRQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O/c21-17-8-2-1-5-14(17)10-11-16-13-19(24)23(16)18-9-3-6-15-7-4-12-22-20(15)18/h1-9,12,16H,10-11,13H2.
What are the key properties of 4-[2-(2-bromophenyl)ethyl]-1-quinolin-8-ylazetidin-2-one?
4-[2-(2-bromophenyl)ethyl]-1-quinolin-8-ylazetidin-2-one has a molecular weight of 381.27 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-bromophenyl)ethyl]-1-quinolin-8-ylazetidin-2-one is sourced from PubChem (CID 146659598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).