N-[2-[[(8-methoxy-2-methylquinolin-4-yl)amino]methyl]cyclopentyl]methanesulfonamide

C18H25N3O3S — CID 133369022

IUPACN-[2-[[(8-methoxy-2-methylquinolin-4-yl)amino]methyl]cyclopentyl]methanesulfonamide
SMILESCOc1cccc2c(NCC3CCCC3NS(C)(=O)=O)cc(C)nc12
InChIInChI=1S/C18H25N3O3S/c1-12-10-16(14-7-5-9-17(24-2)18(14)20-12)19-11-13-6-4-8-15(13)21-25(3,22)23/h5,7,9-10,13,15,21H,4,6,8,11H2,1-3H3,(H,19,20)
InChIKeyNZIQMKVDKZFBRC-UHFFFAOYSA-N
MW363.48 g/mol
LogP2.68
Rot. Bonds6

About N-[2-[[(8-methoxy-2-methylquinolin-4-yl)amino]methyl]cyclopentyl]methanesulfonamide

N-[2-[[(8-methoxy-2-methylquinolin-4-yl)amino]methyl]cyclopentyl]methanesulfonamide (PubChem CID 133369022) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-[2-[[(8-methoxy-2-methylquinolin-4-yl)amino]methyl]cyclopentyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[(8-methoxy-2-methylquinolin-4-yl)amino]methyl]cyclopentyl]methanesulfonamide
PubChem CID133369022
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC NameN-[2-[[(8-methoxy-2-methylquinolin-4-yl)amino]methyl]cyclopentyl]methanesulfonamide
SMILESCOc1cccc2c(NCC3CCCC3NS(C)(=O)=O)cc(C)nc12
InChIInChI=1S/C18H25N3O3S/c1-12-10-16(14-7-5-9-17(24-2)18(14)20-12)19-11-13-6-4-8-15(13)21-25(3,22)23/h5,7,9-10,13,15,21H,4,6,8,11H2,1-3H3,(H,19,20)
InChIKeyNZIQMKVDKZFBRC-UHFFFAOYSA-N
XLogP2.68
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[[(8-methoxy-2-methylquinolin-4-yl)amino]methyl]cyclopentyl]methanesulfonamide 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

8-methoxy-2-methyl-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]quinolin-4-amine
CID 133388731
N-(3,5-dimethoxyphenyl)-N'-(8-methoxy-2-methylquinolin-4-yl)ethane-1,2-diamine
CID 167828097
8-methoxy-2-methyl-N-(4-methylsulfonylbutan-2-yl)quinolin-4-amine
CID 133369312
8-methoxy-N-[2-(4-methoxyphenyl)ethyl]-2-methylquinolin-4-amine
CID 110432820
8-methoxy-N-(4-methoxy-2,2-dimethylbutyl)-2-methylquinolin-4-amine
CID 133459634
4-[(8-methoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide
CID 14052838
N-cyclopent-3-en-1-yl-8-methoxy-2-methylquinolin-4-amine
CID 133369212
N-(2-ethylphenyl)-8-methoxy-2-methylquinolin-4-amine;dihydrochloride
CID 45125627
N-[(2-chlorophenyl)methyl]-8-methoxy-2-methylquinolin-4-amine
CID 19900495
8-methoxy-2-methyl-N-(3-methylphenyl)quinolin-4-amine
CID 110435559
N-(3,4-dimethylphenyl)-8-methoxy-2-methylquinolin-4-amine;hydrochloride
CID 18590560
2-[(8-methoxy-2-methylquinolin-4-yl)amino]phenol
CID 939061

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(8-methoxy-2-methylquinolin-4-yl)amino]methyl]cyclopentyl]methanesulfonamide?
The IUPAC name of N-[2-[[(8-methoxy-2-methylquinolin-4-yl)amino]methyl]cyclopentyl]methanesulfonamide (CID 133369022) is N-[2-[[(8-methoxy-2-methylquinolin-4-yl)amino]methyl]cyclopentyl]methanesulfonamide.
What is the SMILES notation for N-[2-[[(8-methoxy-2-methylquinolin-4-yl)amino]methyl]cyclopentyl]methanesulfonamide?
The canonical SMILES for N-[2-[[(8-methoxy-2-methylquinolin-4-yl)amino]methyl]cyclopentyl]methanesulfonamide is COc1cccc2c(NCC3CCCC3NS(C)(=O)=O)cc(C)nc12.
What is the InChIKey of N-[2-[[(8-methoxy-2-methylquinolin-4-yl)amino]methyl]cyclopentyl]methanesulfonamide?
The InChIKey is NZIQMKVDKZFBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-12-10-16(14-7-5-9-17(24-2)18(14)20-12)19-11-13-6-4-8-15(13)21-25(3,22)23/h5,7,9-10,13,15,21H,4,6,8,11H2,1-3H3,(H,19,20).
What are the key properties of N-[2-[[(8-methoxy-2-methylquinolin-4-yl)amino]methyl]cyclopentyl]methanesulfonamide?
N-[2-[[(8-methoxy-2-methylquinolin-4-yl)amino]methyl]cyclopentyl]methanesulfonamide has a molecular weight of 363.48 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(8-methoxy-2-methylquinolin-4-yl)amino]methyl]cyclopentyl]methanesulfonamide is sourced from PubChem (CID 133369022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).