N-(2-methylquinolin-5-yl)-1-methylsulfonylazetidine-3-carboxamide

C15H17N3O3S — CID 90513237

IUPACN-(2-methylquinolin-5-yl)-1-methylsulfonylazetidine-3-carboxamide
SMILESCc1ccc2c(NC(=O)C3CN(S(C)(=O)=O)C3)cccc2n1
InChIInChI=1S/C15H17N3O3S/c1-10-6-7-12-13(16-10)4-3-5-14(12)17-15(19)11-8-18(9-11)22(2,20)21/h3-7,11H,8-9H2,1-2H3,(H,17,19)
InChIKeyDTSCADLSSLOIDO-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.37
Rot. Bonds3

About N-(2-methylquinolin-5-yl)-1-methylsulfonylazetidine-3-carboxamide

N-(2-methylquinolin-5-yl)-1-methylsulfonylazetidine-3-carboxamide (PubChem CID 90513237) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is N-(2-methylquinolin-5-yl)-1-methylsulfonylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylquinolin-5-yl)-1-methylsulfonylazetidine-3-carboxamide
PubChem CID90513237
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC NameN-(2-methylquinolin-5-yl)-1-methylsulfonylazetidine-3-carboxamide
SMILESCc1ccc2c(NC(=O)C3CN(S(C)(=O)=O)C3)cccc2n1
InChIInChI=1S/C15H17N3O3S/c1-10-6-7-12-13(16-10)4-3-5-14(12)17-15(19)11-8-18(9-11)22(2,20)21/h3-7,11H,8-9H2,1-2H3,(H,17,19)
InChIKeyDTSCADLSSLOIDO-UHFFFAOYSA-N
XLogP1.37
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(4-chlorophenyl)-N-(2-methylquinolin-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 51868467
N-(2-carbamoylphenyl)-1-methylsulfonylazetidine-3-carboxamide
CID 90513266
8-tert-butyl-N-(2-methylquinolin-5-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572954
N-(2-methylquinolin-5-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 118780526
N-(2-methylquinolin-5-yl)adamantane-1-carboxamide
CID 584801
1-methylsulfonyl-N-[2-(trifluoromethoxy)phenyl]azetidine-3-carboxamide
CID 90513254
(2S)-N-(2-methylquinolin-5-yl)-2-propan-2-yl-2,5-dihydropyrrole-1-carboxamide
CID 125161337
1-(2-methylquinolin-5-yl)-3-[(3S)-thiolan-3-yl]urea
CID 97443734
N-(3-methylsulfanylphenyl)-1-methylsulfonylazetidine-3-carboxamide
CID 90513206
(3R)-N-(2-methylquinolin-5-yl)-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 125164615
N-(2,5-dichlorophenyl)-1-methylsulfonylazetidine-3-carboxamide
CID 90513146
(3S)-1-(benzenesulfonyl)-N-quinolin-5-ylpiperidine-3-carboxamide
CID 41025456

Frequently Asked Questions

What is the IUPAC name of N-(2-methylquinolin-5-yl)-1-methylsulfonylazetidine-3-carboxamide?
The IUPAC name of N-(2-methylquinolin-5-yl)-1-methylsulfonylazetidine-3-carboxamide (CID 90513237) is N-(2-methylquinolin-5-yl)-1-methylsulfonylazetidine-3-carboxamide.
What is the SMILES notation for N-(2-methylquinolin-5-yl)-1-methylsulfonylazetidine-3-carboxamide?
The canonical SMILES for N-(2-methylquinolin-5-yl)-1-methylsulfonylazetidine-3-carboxamide is Cc1ccc2c(NC(=O)C3CN(S(C)(=O)=O)C3)cccc2n1.
What is the InChIKey of N-(2-methylquinolin-5-yl)-1-methylsulfonylazetidine-3-carboxamide?
The InChIKey is DTSCADLSSLOIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-10-6-7-12-13(16-10)4-3-5-14(12)17-15(19)11-8-18(9-11)22(2,20)21/h3-7,11H,8-9H2,1-2H3,(H,17,19).
What are the key properties of N-(2-methylquinolin-5-yl)-1-methylsulfonylazetidine-3-carboxamide?
N-(2-methylquinolin-5-yl)-1-methylsulfonylazetidine-3-carboxamide has a molecular weight of 319.39 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylquinolin-5-yl)-1-methylsulfonylazetidine-3-carboxamide is sourced from PubChem (CID 90513237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).