N-[4-methylsulfanyl-1-oxo-1-(3-quinolin-2-yloxyazetidin-1-yl)butan-2-yl]acetamide

C19H23N3O3S — CID 122250483

IUPACN-[4-methylsulfanyl-1-oxo-1-(3-quinolin-2-yloxyazetidin-1-yl)butan-2-yl]acetamide
SMILESCSCCC(NC(C)=O)C(=O)N1CC(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C19H23N3O3S/c1-13(23)20-17(9-10-26-2)19(24)22-11-15(12-22)25-18-8-7-14-5-3-4-6-16(14)21-18/h3-8,15,17H,9-12H2,1-2H3,(H,20,23)
InChIKeyKRVFGAZAYPHLPW-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.08
Rot. Bonds7

About N-[4-methylsulfanyl-1-oxo-1-(3-quinolin-2-yloxyazetidin-1-yl)butan-2-yl]acetamide

N-[4-methylsulfanyl-1-oxo-1-(3-quinolin-2-yloxyazetidin-1-yl)butan-2-yl]acetamide (PubChem CID 122250483) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[4-methylsulfanyl-1-oxo-1-(3-quinolin-2-yloxyazetidin-1-yl)butan-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-methylsulfanyl-1-oxo-1-(3-quinolin-2-yloxyazetidin-1-yl)butan-2-yl]acetamide
PubChem CID122250483
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-[4-methylsulfanyl-1-oxo-1-(3-quinolin-2-yloxyazetidin-1-yl)butan-2-yl]acetamide
SMILESCSCCC(NC(C)=O)C(=O)N1CC(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C19H23N3O3S/c1-13(23)20-17(9-10-26-2)19(24)22-11-15(12-22)25-18-8-7-14-5-3-4-6-16(14)21-18/h3-8,15,17H,9-12H2,1-2H3,(H,20,23)
InChIKeyKRVFGAZAYPHLPW-UHFFFAOYSA-N
XLogP2.08
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-methylsulfanyl-1-oxo-1-(3-quinolin-2-yloxyazetidin-1-yl)butan-2-yl]acetamide with MolForge

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Related Compounds

N-[(2S)-4-methylsulfanyl-1-oxo-1-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]butan-2-yl]acetamide
CID 100622864
3-chloro-1-(3-quinolin-2-yloxyazetidin-1-yl)propan-1-one
CID 122250273
N-benzhydryl-3-quinolin-2-yloxyazetidine-1-carboxamide
CID 122250579
3-phenylsulfanyl-1-(3-quinolin-2-yloxyazetidin-1-yl)propan-1-one
CID 122250433
(4-methylpiperazin-1-yl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone
CID 122250593
N-(4-methylphenyl)-3-quinolin-2-yloxyazetidine-1-carboxamide
CID 122250544
(4-methoxyphenyl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone
CID 122250286
N-[(2S)-4-methylsulfanyl-1-oxo-1-(3-oxo-4-phenylpiperazin-1-yl)butan-2-yl]acetamide
CID 70751926
N-[(4-methoxyphenyl)methyl]-3-quinolin-2-yloxyazetidine-1-carboxamide
CID 122250572
(1R,5S)-3-[(2S)-2-acetamido-4-methylsulfanylbutanoyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 121496675
pyridin-3-yl-(3-quinolin-2-yloxyazetidin-1-yl)methanone
CID 122250415
1H-indol-2-yl-(3-quinolin-2-yloxyazetidin-1-yl)methanone
CID 122250203

Frequently Asked Questions

What is the IUPAC name of N-[4-methylsulfanyl-1-oxo-1-(3-quinolin-2-yloxyazetidin-1-yl)butan-2-yl]acetamide?
The IUPAC name of N-[4-methylsulfanyl-1-oxo-1-(3-quinolin-2-yloxyazetidin-1-yl)butan-2-yl]acetamide (CID 122250483) is N-[4-methylsulfanyl-1-oxo-1-(3-quinolin-2-yloxyazetidin-1-yl)butan-2-yl]acetamide.
What is the SMILES notation for N-[4-methylsulfanyl-1-oxo-1-(3-quinolin-2-yloxyazetidin-1-yl)butan-2-yl]acetamide?
The canonical SMILES for N-[4-methylsulfanyl-1-oxo-1-(3-quinolin-2-yloxyazetidin-1-yl)butan-2-yl]acetamide is CSCCC(NC(C)=O)C(=O)N1CC(Oc2ccc3ccccc3n2)C1.
What is the InChIKey of N-[4-methylsulfanyl-1-oxo-1-(3-quinolin-2-yloxyazetidin-1-yl)butan-2-yl]acetamide?
The InChIKey is KRVFGAZAYPHLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-13(23)20-17(9-10-26-2)19(24)22-11-15(12-22)25-18-8-7-14-5-3-4-6-16(14)21-18/h3-8,15,17H,9-12H2,1-2H3,(H,20,23).
What are the key properties of N-[4-methylsulfanyl-1-oxo-1-(3-quinolin-2-yloxyazetidin-1-yl)butan-2-yl]acetamide?
N-[4-methylsulfanyl-1-oxo-1-(3-quinolin-2-yloxyazetidin-1-yl)butan-2-yl]acetamide has a molecular weight of 373.48 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methylsulfanyl-1-oxo-1-(3-quinolin-2-yloxyazetidin-1-yl)butan-2-yl]acetamide is sourced from PubChem (CID 122250483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).