N-[(3-methyl-4-methylsulfonylphenyl)methyl]-2-propylquinolin-4-amine

C21H24N2O2S — CID 133412585

IUPACN-[(3-methyl-4-methylsulfonylphenyl)methyl]-2-propylquinolin-4-amine
SMILESCCCc1cc(NCc2ccc(S(C)(=O)=O)c(C)c2)c2ccccc2n1
InChIInChI=1S/C21H24N2O2S/c1-4-7-17-13-20(18-8-5-6-9-19(18)23-17)22-14-16-10-11-21(15(2)12-16)26(3,24)25/h5-6,8-13H,4,7,14H2,1-3H3,(H,22,23)
InChIKeyUEIWCUOGLHUTNF-UHFFFAOYSA-N
MW368.50 g/mol
LogP4.51
Rot. Bonds6

About N-[(3-methyl-4-methylsulfonylphenyl)methyl]-2-propylquinolin-4-amine

N-[(3-methyl-4-methylsulfonylphenyl)methyl]-2-propylquinolin-4-amine (PubChem CID 133412585) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-[(3-methyl-4-methylsulfonylphenyl)methyl]-2-propylquinolin-4-amine.

Molecular Properties

Compound NameN-[(3-methyl-4-methylsulfonylphenyl)methyl]-2-propylquinolin-4-amine
PubChem CID133412585
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC NameN-[(3-methyl-4-methylsulfonylphenyl)methyl]-2-propylquinolin-4-amine
SMILESCCCc1cc(NCc2ccc(S(C)(=O)=O)c(C)c2)c2ccccc2n1
InChIInChI=1S/C21H24N2O2S/c1-4-7-17-13-20(18-8-5-6-9-19(18)23-17)22-14-16-10-11-21(15(2)12-16)26(3,24)25/h5-6,8-13H,4,7,14H2,1-3H3,(H,22,23)
InChIKeyUEIWCUOGLHUTNF-UHFFFAOYSA-N
XLogP4.51
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-propylquinolin-4-yl)amino]propanoic acid
CID 122048260
N-(2-morpholin-4-ylsulfonylethyl)-2-propylquinolin-4-amine
CID 133405257
N-[(4-ethylphenyl)methyl]-2-methylquinolin-4-amine
CID 106900074
N-(2-methylpropyl)-2-[(2-propylquinolin-4-yl)amino]acetamide
CID 133405225
N-(cyclopropylmethyl)-2-[(2-propylquinolin-4-yl)amino]acetamide
CID 133441654
4-phenyl-2-propylquinoline
CID 145370518
2-[4-[(4-fluorophenyl)methylamino]quinolin-2-yl]acetic acid
CID 110432713
2-methyl-N-[(4-methylsulfonylquinolin-2-yl)methyl]butan-2-amine
CID 59768547
N-(5-fluoro-2-pyridinyl)-N'-(2-propylquinolin-4-yl)ethane-1,2-diamine
CID 167935119
N-(6-methyl-2-pyridinyl)-N'-(2-pentylquinolin-4-yl)ethane-1,2-diamine
CID 166382392
2-methyl-N-(2-methylsulfonylethyl)quinolin-4-amine
CID 54934838
2-methyl-4-methylsulfonylquinoline
CID 4189252

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-4-methylsulfonylphenyl)methyl]-2-propylquinolin-4-amine?
The IUPAC name of N-[(3-methyl-4-methylsulfonylphenyl)methyl]-2-propylquinolin-4-amine (CID 133412585) is N-[(3-methyl-4-methylsulfonylphenyl)methyl]-2-propylquinolin-4-amine.
What is the SMILES notation for N-[(3-methyl-4-methylsulfonylphenyl)methyl]-2-propylquinolin-4-amine?
The canonical SMILES for N-[(3-methyl-4-methylsulfonylphenyl)methyl]-2-propylquinolin-4-amine is CCCc1cc(NCc2ccc(S(C)(=O)=O)c(C)c2)c2ccccc2n1.
What is the InChIKey of N-[(3-methyl-4-methylsulfonylphenyl)methyl]-2-propylquinolin-4-amine?
The InChIKey is UEIWCUOGLHUTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-4-7-17-13-20(18-8-5-6-9-19(18)23-17)22-14-16-10-11-21(15(2)12-16)26(3,24)25/h5-6,8-13H,4,7,14H2,1-3H3,(H,22,23).
What are the key properties of N-[(3-methyl-4-methylsulfonylphenyl)methyl]-2-propylquinolin-4-amine?
N-[(3-methyl-4-methylsulfonylphenyl)methyl]-2-propylquinolin-4-amine has a molecular weight of 368.50 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-4-methylsulfonylphenyl)methyl]-2-propylquinolin-4-amine is sourced from PubChem (CID 133412585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).