1-quinolin-7-yl-2-(thian-4-yl)ethanamine

C16H20N2S — CID 105172620

IUPAC1-quinolin-7-yl-2-(thian-4-yl)ethanamine
SMILESNC(CC1CCSCC1)c1ccc2cccnc2c1
InChIInChI=1S/C16H20N2S/c17-15(10-12-5-8-19-9-6-12)14-4-3-13-2-1-7-18-16(13)11-14/h1-4,7,11-12,15H,5-6,8-10,17H2
InChIKeyJAGUFKCQBRWIDN-UHFFFAOYSA-N
MW272.42 g/mol
LogP3.77
Rot. Bonds3

About 1-quinolin-7-yl-2-(thian-4-yl)ethanamine

1-quinolin-7-yl-2-(thian-4-yl)ethanamine (PubChem CID 105172620) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is 1-quinolin-7-yl-2-(thian-4-yl)ethanamine.

Molecular Properties

Compound Name1-quinolin-7-yl-2-(thian-4-yl)ethanamine
PubChem CID105172620
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name1-quinolin-7-yl-2-(thian-4-yl)ethanamine
SMILESNC(CC1CCSCC1)c1ccc2cccnc2c1
InChIInChI=1S/C16H20N2S/c17-15(10-12-5-8-19-9-6-12)14-4-3-13-2-1-7-18-16(13)11-14/h1-4,7,11-12,15H,5-6,8-10,17H2
InChIKeyJAGUFKCQBRWIDN-UHFFFAOYSA-N
XLogP3.77
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

quinolin-7-yl(thiolan-3-yl)methanamine
CID 105172672
(2-cyclopentyl-1-quinolin-7-ylethyl)hydrazine
CID 105327558
1-(3-methoxy-2-pyridinyl)-2-(thian-4-yl)ethanamine
CID 114054414
N-methyl-1-quinolin-7-yl-1-(thiolan-3-yl)methanamine
CID 105172644
2-(oxolan-3-yl)-1-quinolin-6-ylethanamine
CID 103986818
2-propan-2-ylsulfanyl-1-quinolin-7-ylethanamine
CID 81231763
2-(1,1-dioxothiolan-3-yl)-1-quinolin-6-ylethanamine
CID 105172342
1-(4-methoxyphenyl)-2-(thian-4-yl)ethanamine
CID 105095213
N-(2-cyclopropyl-1-quinolin-7-ylethyl)propan-1-amine
CID 81232087
4-phenyl-1-quinolin-7-ylbutan-1-amine
CID 105172595
pyrimidin-2-yl(quinolin-7-yl)methanamine
CID 81220998
1-(4-tert-butylphenyl)-2-(thian-4-yl)ethanamine
CID 105140456

Frequently Asked Questions

What is the IUPAC name of 1-quinolin-7-yl-2-(thian-4-yl)ethanamine?
The IUPAC name of 1-quinolin-7-yl-2-(thian-4-yl)ethanamine (CID 105172620) is 1-quinolin-7-yl-2-(thian-4-yl)ethanamine.
What is the SMILES notation for 1-quinolin-7-yl-2-(thian-4-yl)ethanamine?
The canonical SMILES for 1-quinolin-7-yl-2-(thian-4-yl)ethanamine is NC(CC1CCSCC1)c1ccc2cccnc2c1.
What is the InChIKey of 1-quinolin-7-yl-2-(thian-4-yl)ethanamine?
The InChIKey is JAGUFKCQBRWIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c17-15(10-12-5-8-19-9-6-12)14-4-3-13-2-1-7-18-16(13)11-14/h1-4,7,11-12,15H,5-6,8-10,17H2.
What are the key properties of 1-quinolin-7-yl-2-(thian-4-yl)ethanamine?
1-quinolin-7-yl-2-(thian-4-yl)ethanamine has a molecular weight of 272.42 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-7-yl-2-(thian-4-yl)ethanamine is sourced from PubChem (CID 105172620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).