7-(3-methylimidazol-4-yl)-4-thiophen-3-ylisoquinolin-1-amine

C17H14N4S — CID 44528755

IUPAC7-(3-methylimidazol-4-yl)-4-thiophen-3-ylisoquinolin-1-amine
SMILESCn1cncc1-c1ccc2c(-c3ccsc3)cnc(N)c2c1
InChIInChI=1S/C17H14N4S/c1-21-10-19-8-16(21)11-2-3-13-14(6-11)17(18)20-7-15(13)12-4-5-22-9-12/h2-10H,1H3,(H2,18,20)
InChIKeyQYQMGDLQPSELSE-UHFFFAOYSA-N
MW306.39 g/mol
LogP3.95
Rot. Bonds2

About 7-(3-methylimidazol-4-yl)-4-thiophen-3-ylisoquinolin-1-amine

7-(3-methylimidazol-4-yl)-4-thiophen-3-ylisoquinolin-1-amine (PubChem CID 44528755) has the molecular formula C17H14N4S and a molecular weight of 306.39 g/mol. Its IUPAC name is 7-(3-methylimidazol-4-yl)-4-thiophen-3-ylisoquinolin-1-amine.

Molecular Properties

Compound Name7-(3-methylimidazol-4-yl)-4-thiophen-3-ylisoquinolin-1-amine
PubChem CID44528755
Molecular FormulaC17H14N4S
Molecular Weight306.39 g/mol
Exact Mass306.09
IUPAC Name7-(3-methylimidazol-4-yl)-4-thiophen-3-ylisoquinolin-1-amine
SMILESCn1cncc1-c1ccc2c(-c3ccsc3)cnc(N)c2c1
InChIInChI=1S/C17H14N4S/c1-21-10-19-8-16(21)11-2-3-13-14(6-11)17(18)20-7-15(13)12-4-5-22-9-12/h2-10H,1H3,(H2,18,20)
InChIKeyQYQMGDLQPSELSE-UHFFFAOYSA-N
XLogP3.95
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(3-methylimidazol-4-yl)-4-thiophen-3-ylisoquinolin-1-amine?
The IUPAC name of 7-(3-methylimidazol-4-yl)-4-thiophen-3-ylisoquinolin-1-amine (CID 44528755) is 7-(3-methylimidazol-4-yl)-4-thiophen-3-ylisoquinolin-1-amine.
What is the SMILES notation for 7-(3-methylimidazol-4-yl)-4-thiophen-3-ylisoquinolin-1-amine?
The canonical SMILES for 7-(3-methylimidazol-4-yl)-4-thiophen-3-ylisoquinolin-1-amine is Cn1cncc1-c1ccc2c(-c3ccsc3)cnc(N)c2c1.
What is the InChIKey of 7-(3-methylimidazol-4-yl)-4-thiophen-3-ylisoquinolin-1-amine?
The InChIKey is QYQMGDLQPSELSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4S/c1-21-10-19-8-16(21)11-2-3-13-14(6-11)17(18)20-7-15(13)12-4-5-22-9-12/h2-10H,1H3,(H2,18,20).
What are the key properties of 7-(3-methylimidazol-4-yl)-4-thiophen-3-ylisoquinolin-1-amine?
7-(3-methylimidazol-4-yl)-4-thiophen-3-ylisoquinolin-1-amine has a molecular weight of 306.39 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methylimidazol-4-yl)-4-thiophen-3-ylisoquinolin-1-amine is sourced from PubChem (CID 44528755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).