N-[(5-methylthiophen-3-yl)-quinolin-8-ylmethyl]propan-1-amine

C18H20N2S — CID 105155523

IUPACN-[(5-methylthiophen-3-yl)-quinolin-8-ylmethyl]propan-1-amine
SMILESCCCNC(c1csc(C)c1)c1cccc2cccnc12
InChIInChI=1S/C18H20N2S/c1-3-9-19-18(15-11-13(2)21-12-15)16-8-4-6-14-7-5-10-20-17(14)16/h4-8,10-12,18-19H,3,9H2,1-2H3
InChIKeyGJRQNHZEAQWGSU-UHFFFAOYSA-N
MW296.44 g/mol
LogP4.69
Rot. Bonds5

About N-[(5-methylthiophen-3-yl)-quinolin-8-ylmethyl]propan-1-amine

N-[(5-methylthiophen-3-yl)-quinolin-8-ylmethyl]propan-1-amine (PubChem CID 105155523) has the molecular formula C18H20N2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[(5-methylthiophen-3-yl)-quinolin-8-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-methylthiophen-3-yl)-quinolin-8-ylmethyl]propan-1-amine
PubChem CID105155523
Molecular FormulaC18H20N2S
Molecular Weight296.44 g/mol
Exact Mass296.13
IUPAC NameN-[(5-methylthiophen-3-yl)-quinolin-8-ylmethyl]propan-1-amine
SMILESCCCNC(c1csc(C)c1)c1cccc2cccnc12
InChIInChI=1S/C18H20N2S/c1-3-9-19-18(15-11-13(2)21-12-15)16-8-4-6-14-7-5-10-20-17(14)16/h4-8,10-12,18-19H,3,9H2,1-2H3
InChIKeyGJRQNHZEAQWGSU-UHFFFAOYSA-N
XLogP4.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(5-methylthiophen-3-yl)-1-quinolin-8-ylmethanamine
CID 105155395
N-[(4-bromothiophen-2-yl)-quinolin-8-ylmethyl]propan-1-amine
CID 81228406
N-[pyridin-3-yl(quinolin-8-yl)methyl]propan-1-amine
CID 81209832
N-[(5-iodothiophen-3-yl)-quinolin-8-ylmethyl]ethanamine
CID 105021278
N-[(2-bromo-3-methylphenyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 107985069
N-[furan-3-yl(quinolin-8-yl)methyl]propan-1-amine
CID 81231183
N-[(2-methylsulfanylphenyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 104991415
N-[(6-methyl-2-pyridinyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 65104755
N-[quinolin-8-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
CID 105172512
N-[(2,4-dimethylphenyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 104991554
1-(5-bromothiophen-3-yl)-N-methyl-1-quinolin-8-ylmethanamine
CID 105172538
N-[(5-bromo-2-methylphenyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 104991139

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-3-yl)-quinolin-8-ylmethyl]propan-1-amine?
The IUPAC name of N-[(5-methylthiophen-3-yl)-quinolin-8-ylmethyl]propan-1-amine (CID 105155523) is N-[(5-methylthiophen-3-yl)-quinolin-8-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(5-methylthiophen-3-yl)-quinolin-8-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(5-methylthiophen-3-yl)-quinolin-8-ylmethyl]propan-1-amine is CCCNC(c1csc(C)c1)c1cccc2cccnc12.
What is the InChIKey of N-[(5-methylthiophen-3-yl)-quinolin-8-ylmethyl]propan-1-amine?
The InChIKey is GJRQNHZEAQWGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2S/c1-3-9-19-18(15-11-13(2)21-12-15)16-8-4-6-14-7-5-10-20-17(14)16/h4-8,10-12,18-19H,3,9H2,1-2H3.
What are the key properties of N-[(5-methylthiophen-3-yl)-quinolin-8-ylmethyl]propan-1-amine?
N-[(5-methylthiophen-3-yl)-quinolin-8-ylmethyl]propan-1-amine has a molecular weight of 296.44 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-3-yl)-quinolin-8-ylmethyl]propan-1-amine is sourced from PubChem (CID 105155523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).