(4,5-dimethylthiophen-2-yl)-quinolin-3-ylmethanamine

C16H16N2S — CID 115798523

IUPAC(4,5-dimethylthiophen-2-yl)-quinolin-3-ylmethanamine
SMILESCc1cc(C(N)c2cnc3ccccc3c2)sc1C
InChIInChI=1S/C16H16N2S/c1-10-7-15(19-11(10)2)16(17)13-8-12-5-3-4-6-14(12)18-9-13/h3-9,16H,17H2,1-2H3
InChIKeyZAXPOZUCXQYPLM-UHFFFAOYSA-N
MW268.38 g/mol
LogP3.96
Rot. Bonds2

About (4,5-dimethylthiophen-2-yl)-quinolin-3-ylmethanamine

(4,5-dimethylthiophen-2-yl)-quinolin-3-ylmethanamine (PubChem CID 115798523) has the molecular formula C16H16N2S and a molecular weight of 268.38 g/mol. Its IUPAC name is (4,5-dimethylthiophen-2-yl)-quinolin-3-ylmethanamine.

Molecular Properties

Compound Name(4,5-dimethylthiophen-2-yl)-quinolin-3-ylmethanamine
PubChem CID115798523
Molecular FormulaC16H16N2S
Molecular Weight268.38 g/mol
Exact Mass268.10
IUPAC Name(4,5-dimethylthiophen-2-yl)-quinolin-3-ylmethanamine
SMILESCc1cc(C(N)c2cnc3ccccc3c2)sc1C
InChIInChI=1S/C16H16N2S/c1-10-7-15(19-11(10)2)16(17)13-8-12-5-3-4-6-14(12)18-9-13/h3-9,16H,17H2,1-2H3
InChIKeyZAXPOZUCXQYPLM-UHFFFAOYSA-N
XLogP3.96
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4,5-dimethylthiophen-2-yl)-quinolin-6-ylmethanamine
CID 105021067
(5-methylthiophen-2-yl)-quinolin-3-ylmethanamine
CID 115798712
(4-methyl-3-pyridinyl)-quinolin-3-ylmethanamine
CID 114877871
(4-methoxythiophen-2-yl)-quinolin-3-ylmethanamine
CID 115798693
(2-methylpyrimidin-4-yl)-quinolin-3-ylmethanamine
CID 115530428
(5-bromo-4-methylthiophen-2-yl)-quinolin-3-ylmethanol
CID 114979842
quinolin-3-yl-(2,4,6-trifluorophenyl)methanamine
CID 115798580
1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-quinolin-6-ylmethanamine
CID 105020999
(5-bromo-4-methylthiophen-2-yl)-quinolin-6-ylmethanamine
CID 105021086
(4,5-dimethylthiophen-2-yl)-quinolin-6-ylmethanol
CID 115826735
(2,5-dibromophenyl)-quinolin-3-ylmethanamine
CID 115798842
(3,5-dimethylphenyl)-(4,5-dimethylthiophen-2-yl)methanamine
CID 115797230

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethylthiophen-2-yl)-quinolin-3-ylmethanamine?
The IUPAC name of (4,5-dimethylthiophen-2-yl)-quinolin-3-ylmethanamine (CID 115798523) is (4,5-dimethylthiophen-2-yl)-quinolin-3-ylmethanamine.
What is the SMILES notation for (4,5-dimethylthiophen-2-yl)-quinolin-3-ylmethanamine?
The canonical SMILES for (4,5-dimethylthiophen-2-yl)-quinolin-3-ylmethanamine is Cc1cc(C(N)c2cnc3ccccc3c2)sc1C.
What is the InChIKey of (4,5-dimethylthiophen-2-yl)-quinolin-3-ylmethanamine?
The InChIKey is ZAXPOZUCXQYPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S/c1-10-7-15(19-11(10)2)16(17)13-8-12-5-3-4-6-14(12)18-9-13/h3-9,16H,17H2,1-2H3.
What are the key properties of (4,5-dimethylthiophen-2-yl)-quinolin-3-ylmethanamine?
(4,5-dimethylthiophen-2-yl)-quinolin-3-ylmethanamine has a molecular weight of 268.38 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethylthiophen-2-yl)-quinolin-3-ylmethanamine is sourced from PubChem (CID 115798523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).