azetidin-1-yl-(5-chloroquinolin-8-yl)methanone

C13H11ClN2O — CID 166196760

IUPACazetidin-1-yl-(5-chloroquinolin-8-yl)methanone
SMILESO=C(c1ccc(Cl)c2cccnc12)N1CCC1
InChIInChI=1S/C13H11ClN2O/c14-11-5-4-10(13(17)16-7-2-8-16)12-9(11)3-1-6-15-12/h1,3-6H,2,7-8H2
InChIKeyIGOQZUWDHMUYTN-UHFFFAOYSA-N
MW246.70 g/mol
LogP2.73
Rot. Bonds1

About azetidin-1-yl-(5-chloroquinolin-8-yl)methanone

azetidin-1-yl-(5-chloroquinolin-8-yl)methanone (PubChem CID 166196760) has the molecular formula C13H11ClN2O and a molecular weight of 246.70 g/mol. Its IUPAC name is azetidin-1-yl-(5-chloroquinolin-8-yl)methanone.

Molecular Properties

Compound Nameazetidin-1-yl-(5-chloroquinolin-8-yl)methanone
PubChem CID166196760
Molecular FormulaC13H11ClN2O
Molecular Weight246.70 g/mol
Exact Mass246.06
IUPAC Nameazetidin-1-yl-(5-chloroquinolin-8-yl)methanone
SMILESO=C(c1ccc(Cl)c2cccnc12)N1CCC1
InChIInChI=1S/C13H11ClN2O/c14-11-5-4-10(13(17)16-7-2-8-16)12-9(11)3-1-6-15-12/h1,3-6H,2,7-8H2
InChIKeyIGOQZUWDHMUYTN-UHFFFAOYSA-N
XLogP2.73
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze azetidin-1-yl-(5-chloroquinolin-8-yl)methanone 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

(5-chloroquinolin-8-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119491888
(5-chloroquinolin-8-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 37026329
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloroquinolin-8-yl)methanone
CID 120818978
N-(5-chloroquinolin-8-yl)piperidine-1-carboxamide
CID 116783798
1-(5-chloroquinoline-8-carbonyl)-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 86882198
5-chloro-N-cyclohexylquinoline-8-carboxamide
CID 37248042
2-(5-chloroquinolin-8-yl)oxy-1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]ethanone
CID 55843773
[4-[(5-chloroquinolin-8-yl)methyl]-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 78898172
CID 172791001
CID 172791001
(2-chloro-3-pyridinyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone
CID 2353198
CID 6367063
CID 6367063
calcium;5-chloroquinolin-8-ol;hydride
CID 174353815

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-(5-chloroquinolin-8-yl)methanone?
The IUPAC name of azetidin-1-yl-(5-chloroquinolin-8-yl)methanone (CID 166196760) is azetidin-1-yl-(5-chloroquinolin-8-yl)methanone.
What is the SMILES notation for azetidin-1-yl-(5-chloroquinolin-8-yl)methanone?
The canonical SMILES for azetidin-1-yl-(5-chloroquinolin-8-yl)methanone is O=C(c1ccc(Cl)c2cccnc12)N1CCC1.
What is the InChIKey of azetidin-1-yl-(5-chloroquinolin-8-yl)methanone?
The InChIKey is IGOQZUWDHMUYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O/c14-11-5-4-10(13(17)16-7-2-8-16)12-9(11)3-1-6-15-12/h1,3-6H,2,7-8H2.
What are the key properties of azetidin-1-yl-(5-chloroquinolin-8-yl)methanone?
azetidin-1-yl-(5-chloroquinolin-8-yl)methanone has a molecular weight of 246.70 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-(5-chloroquinolin-8-yl)methanone is sourced from PubChem (CID 166196760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).