2-[(7,8-dimethylquinolin-5-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid

C18H22N2O4S — CID 167873321

IUPAC2-[(7,8-dimethylquinolin-5-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid
SMILESCc1cc(S(=O)(=O)NC2CCCC2(C)C(=O)O)c2cccnc2c1C
InChIInChI=1S/C18H22N2O4S/c1-11-10-14(13-6-5-9-19-16(13)12(11)2)25(23,24)20-15-7-4-8-18(15,3)17(21)22/h5-6,9-10,15,20H,4,7-8H2,1-3H3,(H,21,22)
InChIKeyGGGNPKSAFFZAST-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.77
Rot. Bonds4

About 2-[(7,8-dimethylquinolin-5-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid

2-[(7,8-dimethylquinolin-5-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid (PubChem CID 167873321) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 2-[(7,8-dimethylquinolin-5-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(7,8-dimethylquinolin-5-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid
PubChem CID167873321
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name2-[(7,8-dimethylquinolin-5-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid
SMILESCc1cc(S(=O)(=O)NC2CCCC2(C)C(=O)O)c2cccnc2c1C
InChIInChI=1S/C18H22N2O4S/c1-11-10-14(13-6-5-9-19-16(13)12(11)2)25(23,24)20-15-7-4-8-18(15,3)17(21)22/h5-6,9-10,15,20H,4,7-8H2,1-3H3,(H,21,22)
InChIKeyGGGNPKSAFFZAST-UHFFFAOYSA-N
XLogP2.77
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(7,8-dimethylquinolin-5-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid 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

2-Ethyl-1-(7-methylquinolin-8-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 136542722
(2S)-3-naphthalen-2-yl-2-(quinolin-8-ylsulfonylamino)propanoic acid
CID 20577822
3-cyclopropyl-5-(2-methylpropylsulfamoyl)-7,8-dihydro-6H-cyclopenta[g]isoquinoline-7-carboxylic acid;hydrochloride
CID 156536727
3-cyclopropyl-5-(2-methylpropylsulfamoyl)-7,8-dihydro-6H-cyclopenta[g]isoquinoline-7-carboxylic acid
CID 156536728
3-cyclopropyl-5-[(2,2-dimethylcyclopropyl)sulfamoyl]-7,8-dihydro-6H-cyclopenta[g]isoquinoline-7-carboxylic acid
CID 168147885
3-cyclopropyl-5-(2,2-dimethylpropylsulfamoyl)-7,8-dihydro-6H-cyclopenta[g]isoquinoline-7-carboxylic acid
CID 169069474
(2S)-2-amino-3-[2-methyl-5-(quinolin-5-ylsulfonylamino)phenyl]propanoic acid
CID 177279917
3-Naphthalen-2-yl-2-(quinolin-6-ylsulfonylamino)propanoic acid
CID 23018405
Ethyl 2-benzyl-3-[(8-methylquinolin-5-yl)sulfonylamino]propanoate
CID 56159310
Methyl 4-methyl-2-[(8-methylquinolin-5-yl)sulfonylamino]pentanoate
CID 60256547
Methyl 3,3-dimethyl-2-[(8-methylquinolin-5-yl)sulfonylamino]butanoate
CID 60333359
methyl (2S)-3-methyl-2-[(8-methylquinolin-5-yl)sulfonylamino]butanoate
CID 60405866

Frequently Asked Questions

What is the IUPAC name of 2-[(7,8-dimethylquinolin-5-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(7,8-dimethylquinolin-5-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid (CID 167873321) is 2-[(7,8-dimethylquinolin-5-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(7,8-dimethylquinolin-5-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(7,8-dimethylquinolin-5-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid is Cc1cc(S(=O)(=O)NC2CCCC2(C)C(=O)O)c2cccnc2c1C.
What is the InChIKey of 2-[(7,8-dimethylquinolin-5-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is GGGNPKSAFFZAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-11-10-14(13-6-5-9-19-16(13)12(11)2)25(23,24)20-15-7-4-8-18(15,3)17(21)22/h5-6,9-10,15,20H,4,7-8H2,1-3H3,(H,21,22).
What are the key properties of 2-[(7,8-dimethylquinolin-5-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid?
2-[(7,8-dimethylquinolin-5-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 362.45 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7,8-dimethylquinolin-5-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 167873321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).