N-[[2-(2,5-dimethoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-1-thiophen-2-ylmethanamine

C24H24N2O2S2 — CID 118755608

IUPACN-[[2-(2,5-dimethoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-1-thiophen-2-ylmethanamine
SMILESCOc1ccc(OC)c(-c2nc3cc(SC)ccc3cc2CNCc2cccs2)c1
InChIInChI=1S/C24H24N2O2S2/c1-27-18-7-9-23(28-2)21(12-18)24-17(14-25-15-20-5-4-10-30-20)11-16-6-8-19(29-3)13-22(16)26-24/h4-13,25H,14-15H2,1-3H3
InChIKeyIGISDSDYOPBLBI-UHFFFAOYSA-N
MW436.60 g/mol
LogP5.99
Rot. Bonds8

About N-[[2-(2,5-dimethoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-1-thiophen-2-ylmethanamine

N-[[2-(2,5-dimethoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-1-thiophen-2-ylmethanamine (PubChem CID 118755608) has the molecular formula C24H24N2O2S2 and a molecular weight of 436.60 g/mol. Its IUPAC name is N-[[2-(2,5-dimethoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-[[2-(2,5-dimethoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-1-thiophen-2-ylmethanamine
PubChem CID118755608
Molecular FormulaC24H24N2O2S2
Molecular Weight436.60 g/mol
Exact Mass436.13
IUPAC NameN-[[2-(2,5-dimethoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-1-thiophen-2-ylmethanamine
SMILESCOc1ccc(OC)c(-c2nc3cc(SC)ccc3cc2CNCc2cccs2)c1
InChIInChI=1S/C24H24N2O2S2/c1-27-18-7-9-23(28-2)21(12-18)24-17(14-25-15-20-5-4-10-30-20)11-16-6-8-19(29-3)13-22(16)26-24/h4-13,25H,14-15H2,1-3H3
InChIKeyIGISDSDYOPBLBI-UHFFFAOYSA-N
XLogP5.99
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.60
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,6-dimethoxyquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine
CID 162647683
1-(4-fluorophenyl)-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]methanamine
CID 42428742
1-methoxy-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]propan-2-amine
CID 56856636
1-thiophen-2-yl-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine
CID 43090897
N'-(2,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 54807586
1-(3-fluoro-4-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 43242567
N-[(2-methoxy-6-methylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine
CID 162663446
(5R)-3-(2,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503886
1-(3-methoxy-4-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 54883860
N-[[6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-1-thiophen-2-ylmethanamine
CID 26336142
1-(4-fluoro-3-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 81284399
N-[[5-methoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-1-amine
CID 60877961

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,5-dimethoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-1-thiophen-2-ylmethanamine?
The IUPAC name of N-[[2-(2,5-dimethoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-1-thiophen-2-ylmethanamine (CID 118755608) is N-[[2-(2,5-dimethoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N-[[2-(2,5-dimethoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-1-thiophen-2-ylmethanamine?
The canonical SMILES for N-[[2-(2,5-dimethoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-1-thiophen-2-ylmethanamine is COc1ccc(OC)c(-c2nc3cc(SC)ccc3cc2CNCc2cccs2)c1.
What is the InChIKey of N-[[2-(2,5-dimethoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-1-thiophen-2-ylmethanamine?
The InChIKey is IGISDSDYOPBLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2S2/c1-27-18-7-9-23(28-2)21(12-18)24-17(14-25-15-20-5-4-10-30-20)11-16-6-8-19(29-3)13-22(16)26-24/h4-13,25H,14-15H2,1-3H3.
What are the key properties of N-[[2-(2,5-dimethoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-1-thiophen-2-ylmethanamine?
N-[[2-(2,5-dimethoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-1-thiophen-2-ylmethanamine has a molecular weight of 436.60 g/mol, XLogP of 5.99, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,5-dimethoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 118755608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).