2-[4-(8-methoxythieno[2,3-c]quinolin-9-yl)pyrazol-1-yl]ethanamine

C17H16N4OS — CID 141424185

IUPAC2-[4-(8-methoxythieno[2,3-c]quinolin-9-yl)pyrazol-1-yl]ethanamine
SMILESCOc1ccc2ncc3sccc3c2c1-c1cnn(CCN)c1
InChIInChI=1S/C17H16N4OS/c1-22-14-3-2-13-17(12-4-7-23-15(12)9-19-13)16(14)11-8-20-21(10-11)6-5-18/h2-4,7-10H,5-6,18H2,1H3
InChIKeyJIZRDFIORVHNEO-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.28
Rot. Bonds4

About 2-[4-(8-methoxythieno[2,3-c]quinolin-9-yl)pyrazol-1-yl]ethanamine

2-[4-(8-methoxythieno[2,3-c]quinolin-9-yl)pyrazol-1-yl]ethanamine (PubChem CID 141424185) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is 2-[4-(8-methoxythieno[2,3-c]quinolin-9-yl)pyrazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(8-methoxythieno[2,3-c]quinolin-9-yl)pyrazol-1-yl]ethanamine
PubChem CID141424185
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC Name2-[4-(8-methoxythieno[2,3-c]quinolin-9-yl)pyrazol-1-yl]ethanamine
SMILESCOc1ccc2ncc3sccc3c2c1-c1cnn(CCN)c1
InChIInChI=1S/C17H16N4OS/c1-22-14-3-2-13-17(12-4-7-23-15(12)9-19-13)16(14)11-8-20-21(10-11)6-5-18/h2-4,7-10H,5-6,18H2,1H3
InChIKeyJIZRDFIORVHNEO-UHFFFAOYSA-N
XLogP3.28
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

9-[1-(2-aminoethyl)pyrazol-4-yl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
CID 67450011
2-[4-(8-methoxy-6-methylthieno[2,3-c]quinolin-9-yl)phenyl]butan-1-amine
CID 141424143
9-[4-(2-aminopropyl)phenyl]thieno[2,3-c]quinolin-8-ol
CID 71245154
3-[4-(5-chloro-2-methoxyphenyl)pyrazol-1-yl]propan-1-amine
CID 94277704
2-[4-[4-(methoxymethyl)phenyl]pyrazol-1-yl]ethanamine
CID 164607189
2-[4-(4-propan-2-ylphenyl)pyrazol-1-yl]ethanamine;hydrochloride
CID 164608290
2-[4-(4-ethylphenyl)pyrazol-1-yl]ethanamine
CID 82113702
2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]ethanol
CID 94267593
2-[4-(2-methyl-1,3-benzothiazol-5-yl)pyrazol-1-yl]ethanamine
CID 155912615
1-(2-aminoethyl)-N-(5-chloro-2-methoxyphenyl)pyrazole-4-sulfonamide
CID 106059592
3-[4-(4-propan-2-yloxyphenyl)pyrazol-1-yl]propan-1-amine
CID 164608378
1-(3-chloropropyl)-4-(4-methoxyphenyl)pyrazole
CID 22715717

Frequently Asked Questions

What is the IUPAC name of 2-[4-(8-methoxythieno[2,3-c]quinolin-9-yl)pyrazol-1-yl]ethanamine?
The IUPAC name of 2-[4-(8-methoxythieno[2,3-c]quinolin-9-yl)pyrazol-1-yl]ethanamine (CID 141424185) is 2-[4-(8-methoxythieno[2,3-c]quinolin-9-yl)pyrazol-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(8-methoxythieno[2,3-c]quinolin-9-yl)pyrazol-1-yl]ethanamine?
The canonical SMILES for 2-[4-(8-methoxythieno[2,3-c]quinolin-9-yl)pyrazol-1-yl]ethanamine is COc1ccc2ncc3sccc3c2c1-c1cnn(CCN)c1.
What is the InChIKey of 2-[4-(8-methoxythieno[2,3-c]quinolin-9-yl)pyrazol-1-yl]ethanamine?
The InChIKey is JIZRDFIORVHNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS/c1-22-14-3-2-13-17(12-4-7-23-15(12)9-19-13)16(14)11-8-20-21(10-11)6-5-18/h2-4,7-10H,5-6,18H2,1H3.
What are the key properties of 2-[4-(8-methoxythieno[2,3-c]quinolin-9-yl)pyrazol-1-yl]ethanamine?
2-[4-(8-methoxythieno[2,3-c]quinolin-9-yl)pyrazol-1-yl]ethanamine has a molecular weight of 324.41 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(8-methoxythieno[2,3-c]quinolin-9-yl)pyrazol-1-yl]ethanamine is sourced from PubChem (CID 141424185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).