N-[[2-(2-methylpropoxy)-7-methylsulfanylquinolin-3-yl]methyl]-1-pyridin-4-ylmethanamine

C21H25N3OS — CID 42380537

IUPACN-[[2-(2-methylpropoxy)-7-methylsulfanylquinolin-3-yl]methyl]-1-pyridin-4-ylmethanamine
SMILESCSc1ccc2cc(CNCc3ccncc3)c(OCC(C)C)nc2c1
InChIInChI=1S/C21H25N3OS/c1-15(2)14-25-21-18(13-23-12-16-6-8-22-9-7-16)10-17-4-5-19(26-3)11-20(17)24-21/h4-11,15,23H,12-14H2,1-3H3
InChIKeyILCLHOVJVHSVBH-UHFFFAOYSA-N
MW367.52 g/mol
LogP4.68
Rot. Bonds8

About N-[[2-(2-methylpropoxy)-7-methylsulfanylquinolin-3-yl]methyl]-1-pyridin-4-ylmethanamine

N-[[2-(2-methylpropoxy)-7-methylsulfanylquinolin-3-yl]methyl]-1-pyridin-4-ylmethanamine (PubChem CID 42380537) has the molecular formula C21H25N3OS and a molecular weight of 367.52 g/mol. Its IUPAC name is N-[[2-(2-methylpropoxy)-7-methylsulfanylquinolin-3-yl]methyl]-1-pyridin-4-ylmethanamine.

Molecular Properties

Compound NameN-[[2-(2-methylpropoxy)-7-methylsulfanylquinolin-3-yl]methyl]-1-pyridin-4-ylmethanamine
PubChem CID42380537
Molecular FormulaC21H25N3OS
Molecular Weight367.52 g/mol
Exact Mass367.17
IUPAC NameN-[[2-(2-methylpropoxy)-7-methylsulfanylquinolin-3-yl]methyl]-1-pyridin-4-ylmethanamine
SMILESCSc1ccc2cc(CNCc3ccncc3)c(OCC(C)C)nc2c1
InChIInChI=1S/C21H25N3OS/c1-15(2)14-25-21-18(13-23-12-16-6-8-22-9-7-16)10-17-4-5-19(26-3)11-20(17)24-21/h4-11,15,23H,12-14H2,1-3H3
InChIKeyILCLHOVJVHSVBH-UHFFFAOYSA-N
XLogP4.68
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-3-(1H-imidazol-5-yl)-2-[[2-(2-methylpropoxy)-7-methylsulfanylquinolin-3-yl]methylamino]propan-1-ol
CID 126467706
1-[2-(2-chloroprop-2-enoxy)-7-methylsulfanylquinolin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 42479847
1-(4-fluorophenyl)-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]methanamine
CID 42428742
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-1-pyridin-4-ylmethanamine
CID 64988977
1-[2-(2-chloroprop-2-enoxy)-7-methylsulfanylquinolin-3-yl]-N-[(3-methyloxetan-3-yl)methyl]methanamine
CID 26339550
1-(4-propan-2-ylphenyl)-N-(pyridin-4-ylmethyl)methanamine
CID 4723379
1-methoxy-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]propan-2-amine
CID 56856636
N-[(2-chloro-7-methylsulfanylquinolin-3-yl)methyl]-1-pyridin-3-ylethanamine
CID 166196595
2-(2-methylpropoxy)-5-[3-(pyridin-4-ylmethylamino)propyl]aniline
CID 94759809
1-[7-fluoro-2-(2-phenylsulfanylethoxy)quinolin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 26398887
2-methyl-N-[[2-(4-methylsulfanylphenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 63647549
(2S)-1-(pyridin-4-ylmethylamino)propan-2-ol
CID 964925

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylpropoxy)-7-methylsulfanylquinolin-3-yl]methyl]-1-pyridin-4-ylmethanamine?
The IUPAC name of N-[[2-(2-methylpropoxy)-7-methylsulfanylquinolin-3-yl]methyl]-1-pyridin-4-ylmethanamine (CID 42380537) is N-[[2-(2-methylpropoxy)-7-methylsulfanylquinolin-3-yl]methyl]-1-pyridin-4-ylmethanamine.
What is the SMILES notation for N-[[2-(2-methylpropoxy)-7-methylsulfanylquinolin-3-yl]methyl]-1-pyridin-4-ylmethanamine?
The canonical SMILES for N-[[2-(2-methylpropoxy)-7-methylsulfanylquinolin-3-yl]methyl]-1-pyridin-4-ylmethanamine is CSc1ccc2cc(CNCc3ccncc3)c(OCC(C)C)nc2c1.
What is the InChIKey of N-[[2-(2-methylpropoxy)-7-methylsulfanylquinolin-3-yl]methyl]-1-pyridin-4-ylmethanamine?
The InChIKey is ILCLHOVJVHSVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3OS/c1-15(2)14-25-21-18(13-23-12-16-6-8-22-9-7-16)10-17-4-5-19(26-3)11-20(17)24-21/h4-11,15,23H,12-14H2,1-3H3.
What are the key properties of N-[[2-(2-methylpropoxy)-7-methylsulfanylquinolin-3-yl]methyl]-1-pyridin-4-ylmethanamine?
N-[[2-(2-methylpropoxy)-7-methylsulfanylquinolin-3-yl]methyl]-1-pyridin-4-ylmethanamine has a molecular weight of 367.52 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylpropoxy)-7-methylsulfanylquinolin-3-yl]methyl]-1-pyridin-4-ylmethanamine is sourced from PubChem (CID 42380537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).