N-[(3-methylthiophen-2-yl)-quinolin-7-ylmethyl]ethanamine

C17H18N2S — CID 105021434

IUPACN-[(3-methylthiophen-2-yl)-quinolin-7-ylmethyl]ethanamine
SMILESCCNC(c1ccc2cccnc2c1)c1sccc1C
InChIInChI=1S/C17H18N2S/c1-3-18-16(17-12(2)8-10-20-17)14-7-6-13-5-4-9-19-15(13)11-14/h4-11,16,18H,3H2,1-2H3
InChIKeyHBZOAHZNRSBIJG-UHFFFAOYSA-N
MW282.41 g/mol
LogP4.30
Rot. Bonds4

About N-[(3-methylthiophen-2-yl)-quinolin-7-ylmethyl]ethanamine

N-[(3-methylthiophen-2-yl)-quinolin-7-ylmethyl]ethanamine (PubChem CID 105021434) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-[(3-methylthiophen-2-yl)-quinolin-7-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(3-methylthiophen-2-yl)-quinolin-7-ylmethyl]ethanamine
PubChem CID105021434
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC NameN-[(3-methylthiophen-2-yl)-quinolin-7-ylmethyl]ethanamine
SMILESCCNC(c1ccc2cccnc2c1)c1sccc1C
InChIInChI=1S/C17H18N2S/c1-3-18-16(17-12(2)8-10-20-17)14-7-6-13-5-4-9-19-15(13)11-14/h4-11,16,18H,3H2,1-2H3
InChIKeyHBZOAHZNRSBIJG-UHFFFAOYSA-N
XLogP4.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-methylthiophen-2-yl)-quinolin-7-ylmethyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-ethylthiadiazol-5-yl)-quinolin-7-ylmethyl]ethanamine
CID 105172687
N-[(4-methyl-2-pyridinyl)-quinolin-7-ylmethyl]ethanamine
CID 81228376
N-[(3-methylthiophen-2-yl)-pyridin-3-ylmethyl]ethanamine
CID 78973953
N-[(3-fluorophenyl)-quinolin-7-ylmethyl]ethanamine
CID 81210647
N-[(3-chlorophenyl)-quinolin-7-ylmethyl]ethanamine
CID 81210398
N-ethyl-1-quinolin-7-ylethanamine
CID 81221005
N-[pyrazin-2-yl(quinolin-7-yl)methyl]ethanamine
CID 81231514
N-[(2,5-dibromothiophen-3-yl)-quinolin-7-ylmethyl]ethanamine
CID 107968835
N-[(4-methylthiadiazol-5-yl)-quinolin-7-ylmethyl]propan-1-amine
CID 105172648
N-[(3-iodophenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 55006868
N-[(3-ethoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 79989146
N-ethyl-3-quinolin-7-ylbutan-2-amine
CID 81224003

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylthiophen-2-yl)-quinolin-7-ylmethyl]ethanamine?
The IUPAC name of N-[(3-methylthiophen-2-yl)-quinolin-7-ylmethyl]ethanamine (CID 105021434) is N-[(3-methylthiophen-2-yl)-quinolin-7-ylmethyl]ethanamine.
What is the SMILES notation for N-[(3-methylthiophen-2-yl)-quinolin-7-ylmethyl]ethanamine?
The canonical SMILES for N-[(3-methylthiophen-2-yl)-quinolin-7-ylmethyl]ethanamine is CCNC(c1ccc2cccnc2c1)c1sccc1C.
What is the InChIKey of N-[(3-methylthiophen-2-yl)-quinolin-7-ylmethyl]ethanamine?
The InChIKey is HBZOAHZNRSBIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S/c1-3-18-16(17-12(2)8-10-20-17)14-7-6-13-5-4-9-19-15(13)11-14/h4-11,16,18H,3H2,1-2H3.
What are the key properties of N-[(3-methylthiophen-2-yl)-quinolin-7-ylmethyl]ethanamine?
N-[(3-methylthiophen-2-yl)-quinolin-7-ylmethyl]ethanamine has a molecular weight of 282.41 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylthiophen-2-yl)-quinolin-7-ylmethyl]ethanamine is sourced from PubChem (CID 105021434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).