N-[(2,6-dimethoxyquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine

C17H18N2O2S — CID 162647683

IUPACN-[(2,6-dimethoxyquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine
SMILESCOc1ccc2nc(OC)c(CNCc3cccs3)cc2c1
InChIInChI=1S/C17H18N2O2S/c1-20-14-5-6-16-12(9-14)8-13(17(19-16)21-2)10-18-11-15-4-3-7-22-15/h3-9,18H,10-11H2,1-2H3
InChIKeyDIRNPQWUSYXHGV-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.60
Rot. Bonds6

About N-[(2,6-dimethoxyquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine

N-[(2,6-dimethoxyquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine (PubChem CID 162647683) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[(2,6-dimethoxyquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-[(2,6-dimethoxyquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine
PubChem CID162647683
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC NameN-[(2,6-dimethoxyquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine
SMILESCOc1ccc2nc(OC)c(CNCc3cccs3)cc2c1
InChIInChI=1S/C17H18N2O2S/c1-20-14-5-6-16-12(9-14)8-13(17(19-16)21-2)10-18-11-15-4-3-7-22-15/h3-9,18H,10-11H2,1-2H3
InChIKeyDIRNPQWUSYXHGV-UHFFFAOYSA-N
XLogP3.60
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxy-6-methylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine
CID 162663446
N-[[2-(2,5-dimethoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-1-thiophen-2-ylmethanamine
CID 118755608
2-(2,6-dimethoxyquinolin-3-yl)ethanamine
CID 170868890
6-methoxy-N-(thiophen-2-ylmethyl)furo[2,3-b]quinoline-2-carboxamide
CID 3245490
N-[[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-thiophen-2-ylmethanamine
CID 53272360
1-thiophen-2-yl-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine
CID 43090897
N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-[(2-methoxy-6-methylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine
CID 162655577
3-(2,6-dimethoxyquinolin-3-yl)-5-thiophen-2-yl-1,2,4-oxadiazole
CID 3835386
N'-(2,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 54807586
6-methoxy-2-(thiophen-2-ylmethyl)-1,3-benzothiazole
CID 67564031
1-(2-methylquinolin-6-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 105378240
N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
CID 43769303

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethoxyquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine?
The IUPAC name of N-[(2,6-dimethoxyquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine (CID 162647683) is N-[(2,6-dimethoxyquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N-[(2,6-dimethoxyquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine?
The canonical SMILES for N-[(2,6-dimethoxyquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine is COc1ccc2nc(OC)c(CNCc3cccs3)cc2c1.
What is the InChIKey of N-[(2,6-dimethoxyquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine?
The InChIKey is DIRNPQWUSYXHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-20-14-5-6-16-12(9-14)8-13(17(19-16)21-2)10-18-11-15-4-3-7-22-15/h3-9,18H,10-11H2,1-2H3.
What are the key properties of N-[(2,6-dimethoxyquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine?
N-[(2,6-dimethoxyquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine has a molecular weight of 314.41 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethoxyquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 162647683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).