1-[3-(3-chlorophenyl)azetidin-1-yl]-2-quinolin-6-ylethanone

C20H17ClN2O — CID 167832627

IUPAC1-[3-(3-chlorophenyl)azetidin-1-yl]-2-quinolin-6-ylethanone
SMILESO=C(Cc1ccc2ncccc2c1)N1CC(c2cccc(Cl)c2)C1
InChIInChI=1S/C20H17ClN2O/c21-18-5-1-3-15(11-18)17-12-23(13-17)20(24)10-14-6-7-19-16(9-14)4-2-8-22-19/h1-9,11,17H,10,12-13H2
InChIKeyXLRNUOFJNIBPHU-UHFFFAOYSA-N
MW336.82 g/mol
LogP4.06
Rot. Bonds3

About 1-[3-(3-chlorophenyl)azetidin-1-yl]-2-quinolin-6-ylethanone

1-[3-(3-chlorophenyl)azetidin-1-yl]-2-quinolin-6-ylethanone (PubChem CID 167832627) has the molecular formula C20H17ClN2O and a molecular weight of 336.82 g/mol. Its IUPAC name is 1-[3-(3-chlorophenyl)azetidin-1-yl]-2-quinolin-6-ylethanone.

Molecular Properties

Compound Name1-[3-(3-chlorophenyl)azetidin-1-yl]-2-quinolin-6-ylethanone
PubChem CID167832627
Molecular FormulaC20H17ClN2O
Molecular Weight336.82 g/mol
Exact Mass336.10
IUPAC Name1-[3-(3-chlorophenyl)azetidin-1-yl]-2-quinolin-6-ylethanone
SMILESO=C(Cc1ccc2ncccc2c1)N1CC(c2cccc(Cl)c2)C1
InChIInChI=1S/C20H17ClN2O/c21-18-5-1-3-15(11-18)17-12-23(13-17)20(24)10-14-6-7-19-16(9-14)4-2-8-22-19/h1-9,11,17H,10,12-13H2
InChIKeyXLRNUOFJNIBPHU-UHFFFAOYSA-N
XLogP4.06
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[3-(3-chlorophenyl)azetidin-1-yl]-2-quinolin-6-ylethanone 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-[4-(cyclobutylamino)piperidin-1-yl]-2-quinolin-6-ylethanone
CID 154867921
2-(3-chlorophenyl)-1-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone
CID 46965540
N-[(3-chlorophenyl)methyl]quinoline-6-carboxamide
CID 23653724
2-quinolin-6-yl-1-[4-[7-(trifluoromethyl)-2,3-dihydrobenzimidazol-1-yl]piperidin-1-yl]ethanone
CID 155672294
2-[2-[[1-(2-quinolin-6-ylacetyl)piperidin-4-yl]amino]phenyl]acetamide
CID 175872549
1-[3-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]-2-(3-chlorophenyl)ethanone
CID 110667413
(4-chlorophenyl)-[(3S)-1-(quinolin-6-ylmethyl)piperidin-3-yl]methanone
CID 42198031
(E)-1-(3-chlorophenyl)-3-quinolin-6-ylprop-2-en-1-one
CID 55353592
1-[4-[2-amino-6-(trifluoromethyl)anilino]piperidin-1-yl]-2-quinolin-6-ylethanone
CID 155234309
1-[4-(2-nitroanilino)piperidin-1-yl]-2-quinolin-6-ylethanone
CID 155234146
1-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-2-(3-chlorophenyl)ethanone
CID 102679971
5-oxo-1-(2-quinolin-6-ylethyl)pyrrolidine-3-carboxylic acid
CID 168691392

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-chlorophenyl)azetidin-1-yl]-2-quinolin-6-ylethanone?
The IUPAC name of 1-[3-(3-chlorophenyl)azetidin-1-yl]-2-quinolin-6-ylethanone (CID 167832627) is 1-[3-(3-chlorophenyl)azetidin-1-yl]-2-quinolin-6-ylethanone.
What is the SMILES notation for 1-[3-(3-chlorophenyl)azetidin-1-yl]-2-quinolin-6-ylethanone?
The canonical SMILES for 1-[3-(3-chlorophenyl)azetidin-1-yl]-2-quinolin-6-ylethanone is O=C(Cc1ccc2ncccc2c1)N1CC(c2cccc(Cl)c2)C1.
What is the InChIKey of 1-[3-(3-chlorophenyl)azetidin-1-yl]-2-quinolin-6-ylethanone?
The InChIKey is XLRNUOFJNIBPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O/c21-18-5-1-3-15(11-18)17-12-23(13-17)20(24)10-14-6-7-19-16(9-14)4-2-8-22-19/h1-9,11,17H,10,12-13H2.
What are the key properties of 1-[3-(3-chlorophenyl)azetidin-1-yl]-2-quinolin-6-ylethanone?
1-[3-(3-chlorophenyl)azetidin-1-yl]-2-quinolin-6-ylethanone has a molecular weight of 336.82 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-chlorophenyl)azetidin-1-yl]-2-quinolin-6-ylethanone is sourced from PubChem (CID 167832627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).