N-methyl-1-(5-methylthiophen-3-yl)-1-quinolin-8-ylmethanamine

C16H16N2S — CID 105155395

IUPACN-methyl-1-(5-methylthiophen-3-yl)-1-quinolin-8-ylmethanamine
SMILESCNC(c1csc(C)c1)c1cccc2cccnc12
InChIInChI=1S/C16H16N2S/c1-11-9-13(10-19-11)15(17-2)14-7-3-5-12-6-4-8-18-16(12)14/h3-10,15,17H,1-2H3
InChIKeyQDLNMYVXRAKMRP-UHFFFAOYSA-N
MW268.38 g/mol
LogP3.91
Rot. Bonds3

About N-methyl-1-(5-methylthiophen-3-yl)-1-quinolin-8-ylmethanamine

N-methyl-1-(5-methylthiophen-3-yl)-1-quinolin-8-ylmethanamine (PubChem CID 105155395) has the molecular formula C16H16N2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-methyl-1-(5-methylthiophen-3-yl)-1-quinolin-8-ylmethanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methylthiophen-3-yl)-1-quinolin-8-ylmethanamine
PubChem CID105155395
Molecular FormulaC16H16N2S
Molecular Weight268.38 g/mol
Exact Mass268.10
IUPAC NameN-methyl-1-(5-methylthiophen-3-yl)-1-quinolin-8-ylmethanamine
SMILESCNC(c1csc(C)c1)c1cccc2cccnc12
InChIInChI=1S/C16H16N2S/c1-11-9-13(10-19-11)15(17-2)14-7-3-5-12-6-4-8-18-16(12)14/h3-10,15,17H,1-2H3
InChIKeyQDLNMYVXRAKMRP-UHFFFAOYSA-N
XLogP3.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromothiophen-3-yl)-N-methyl-1-quinolin-8-ylmethanamine
CID 105172538
N-[(5-methylthiophen-3-yl)-quinolin-8-ylmethyl]propan-1-amine
CID 105155523
N-methyl-1-(5-methylthiophen-3-yl)-1-quinolin-5-ylmethanamine
CID 105155662
N-methyl-1-(2-methyl-4-pyridinyl)-1-quinolin-8-ylmethanamine
CID 106755698
N-methyl-1-(5-methyl-3-pyridinyl)-1-quinolin-8-ylmethanamine
CID 105172541
N-methyl-1-(2-methyl-3-pyridinyl)-1-quinolin-8-ylmethanamine
CID 105172443
1-(4-bromophenyl)-N-methyl-1-quinolin-8-ylmethanamine
CID 78917786
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-quinolin-8-ylmethanamine
CID 105172558
N-methyl-1-(4-methylsulfanylphenyl)-1-quinolin-8-ylmethanamine
CID 105021332
1-(2-fluoro-4-methylphenyl)-N-methyl-1-quinolin-8-ylmethanamine
CID 105021150
N-[(5-iodothiophen-3-yl)-quinolin-8-ylmethyl]ethanamine
CID 105021278
1-(2,6-difluorophenyl)-N-methyl-1-quinolin-8-ylmethanamine
CID 81229518

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methylthiophen-3-yl)-1-quinolin-8-ylmethanamine?
The IUPAC name of N-methyl-1-(5-methylthiophen-3-yl)-1-quinolin-8-ylmethanamine (CID 105155395) is N-methyl-1-(5-methylthiophen-3-yl)-1-quinolin-8-ylmethanamine.
What is the SMILES notation for N-methyl-1-(5-methylthiophen-3-yl)-1-quinolin-8-ylmethanamine?
The canonical SMILES for N-methyl-1-(5-methylthiophen-3-yl)-1-quinolin-8-ylmethanamine is CNC(c1csc(C)c1)c1cccc2cccnc12.
What is the InChIKey of N-methyl-1-(5-methylthiophen-3-yl)-1-quinolin-8-ylmethanamine?
The InChIKey is QDLNMYVXRAKMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S/c1-11-9-13(10-19-11)15(17-2)14-7-3-5-12-6-4-8-18-16(12)14/h3-10,15,17H,1-2H3.
What are the key properties of N-methyl-1-(5-methylthiophen-3-yl)-1-quinolin-8-ylmethanamine?
N-methyl-1-(5-methylthiophen-3-yl)-1-quinolin-8-ylmethanamine has a molecular weight of 268.38 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methylthiophen-3-yl)-1-quinolin-8-ylmethanamine is sourced from PubChem (CID 105155395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).