N-(quinolin-8-ylmethyl)-1-thiophen-3-ylpropan-2-amine

C17H18N2S — CID 61222089

IUPACN-(quinolin-8-ylmethyl)-1-thiophen-3-ylpropan-2-amine
SMILESCC(Cc1ccsc1)NCc1cccc2cccnc12
InChIInChI=1S/C17H18N2S/c1-13(10-14-7-9-20-12-14)19-11-16-5-2-4-15-6-3-8-18-17(15)16/h2-9,12-13,19H,10-11H2,1H3
InChIKeyRBIZUFTVWDQHIG-UHFFFAOYSA-N
MW282.41 g/mol
LogP4.02
Rot. Bonds5

About N-(quinolin-8-ylmethyl)-1-thiophen-3-ylpropan-2-amine

N-(quinolin-8-ylmethyl)-1-thiophen-3-ylpropan-2-amine (PubChem CID 61222089) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-(quinolin-8-ylmethyl)-1-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound NameN-(quinolin-8-ylmethyl)-1-thiophen-3-ylpropan-2-amine
PubChem CID61222089
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC NameN-(quinolin-8-ylmethyl)-1-thiophen-3-ylpropan-2-amine
SMILESCC(Cc1ccsc1)NCc1cccc2cccnc12
InChIInChI=1S/C17H18N2S/c1-13(10-14-7-9-20-12-14)19-11-16-5-2-4-15-6-3-8-18-17(15)16/h2-9,12-13,19H,10-11H2,1H3
InChIKeyRBIZUFTVWDQHIG-UHFFFAOYSA-N
XLogP4.02
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-quinolin-8-yl-N-(thiophen-3-ylmethyl)ethanamine
CID 112727575
N-[(6-bromo-2-pyridinyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 112582241
1-iodo-3-methyl-N-(quinolin-8-ylmethyl)butan-2-amine
CID 107859459
1-(3-methylpyrazin-2-yl)-N-(quinolin-8-ylmethyl)ethanamine
CID 102612589
1-(4-methyl-1,3-thiazol-2-yl)-N-(quinolin-8-ylmethyl)ethanamine
CID 63090006
2-(quinolin-8-ylmethylamino)propanoic acid
CID 43467362
(1R)-1-pyridin-4-yl-N-(quinolin-8-ylmethyl)ethanamine
CID 28644871
2-methyl-3-(quinolin-8-ylmethylamino)butan-1-ol
CID 115644489
1-cyclopropyl-2,2-dimethyl-N-(quinolin-8-ylmethyl)propan-1-amine
CID 166234986
1-chloro-4-methyl-N-(quinolin-8-ylmethyl)pentan-3-amine
CID 106353850
(1S)-2-methyl-1-phenyl-N-(quinolin-8-ylmethyl)propan-1-amine
CID 124823553
N-ethyl-1-(3-ethyl-2-pyridinyl)-2-thiophen-3-ylethanamine
CID 82730797

Frequently Asked Questions

What is the IUPAC name of N-(quinolin-8-ylmethyl)-1-thiophen-3-ylpropan-2-amine?
The IUPAC name of N-(quinolin-8-ylmethyl)-1-thiophen-3-ylpropan-2-amine (CID 61222089) is N-(quinolin-8-ylmethyl)-1-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for N-(quinolin-8-ylmethyl)-1-thiophen-3-ylpropan-2-amine?
The canonical SMILES for N-(quinolin-8-ylmethyl)-1-thiophen-3-ylpropan-2-amine is CC(Cc1ccsc1)NCc1cccc2cccnc12.
What is the InChIKey of N-(quinolin-8-ylmethyl)-1-thiophen-3-ylpropan-2-amine?
The InChIKey is RBIZUFTVWDQHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S/c1-13(10-14-7-9-20-12-14)19-11-16-5-2-4-15-6-3-8-18-17(15)16/h2-9,12-13,19H,10-11H2,1H3.
What are the key properties of N-(quinolin-8-ylmethyl)-1-thiophen-3-ylpropan-2-amine?
N-(quinolin-8-ylmethyl)-1-thiophen-3-ylpropan-2-amine has a molecular weight of 282.41 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(quinolin-8-ylmethyl)-1-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 61222089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).