4-(3-thiophen-2-ylisoquinolin-1-yl)morpholine;hydrochloride

C17H17ClN2OS — CID 90681462

IUPAC4-(3-thiophen-2-ylisoquinolin-1-yl)morpholine;hydrochloride
SMILESCl.c1csc(-c2cc3ccccc3c(N3CCOCC3)n2)c1
InChIInChI=1S/C17H16N2OS.ClH/c1-2-5-14-13(4-1)12-15(16-6-3-11-21-16)18-17(14)19-7-9-20-10-8-19;/h1-6,11-12H,7-10H2;1H
InChIKeyFUKWMVPSGICBNE-UHFFFAOYSA-N
MW332.86 g/mol
LogP4.22
Rot. Bonds2

About 4-(3-thiophen-2-ylisoquinolin-1-yl)morpholine;hydrochloride

4-(3-thiophen-2-ylisoquinolin-1-yl)morpholine;hydrochloride (PubChem CID 90681462) has the molecular formula C17H17ClN2OS and a molecular weight of 332.86 g/mol. Its IUPAC name is 4-(3-thiophen-2-ylisoquinolin-1-yl)morpholine;hydrochloride.

Molecular Properties

Compound Name4-(3-thiophen-2-ylisoquinolin-1-yl)morpholine;hydrochloride
PubChem CID90681462
Molecular FormulaC17H17ClN2OS
Molecular Weight332.86 g/mol
Exact Mass332.08
IUPAC Name4-(3-thiophen-2-ylisoquinolin-1-yl)morpholine;hydrochloride
SMILESCl.c1csc(-c2cc3ccccc3c(N3CCOCC3)n2)c1
InChIInChI=1S/C17H16N2OS.ClH/c1-2-5-14-13(4-1)12-15(16-6-3-11-21-16)18-17(14)19-7-9-20-10-8-19;/h1-6,11-12H,7-10H2;1H
InChIKeyFUKWMVPSGICBNE-UHFFFAOYSA-N
XLogP4.22
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.86
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(3-thiophen-2-ylisoquinolin-1-yl)morpholine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-thiophen-2-ylisoquinolin-1-yl)morpholine;hydrochloride?
The IUPAC name of 4-(3-thiophen-2-ylisoquinolin-1-yl)morpholine;hydrochloride (CID 90681462) is 4-(3-thiophen-2-ylisoquinolin-1-yl)morpholine;hydrochloride.
What is the SMILES notation for 4-(3-thiophen-2-ylisoquinolin-1-yl)morpholine;hydrochloride?
The canonical SMILES for 4-(3-thiophen-2-ylisoquinolin-1-yl)morpholine;hydrochloride is Cl.c1csc(-c2cc3ccccc3c(N3CCOCC3)n2)c1.
What is the InChIKey of 4-(3-thiophen-2-ylisoquinolin-1-yl)morpholine;hydrochloride?
The InChIKey is FUKWMVPSGICBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS.ClH/c1-2-5-14-13(4-1)12-15(16-6-3-11-21-16)18-17(14)19-7-9-20-10-8-19;/h1-6,11-12H,7-10H2;1H.
What are the key properties of 4-(3-thiophen-2-ylisoquinolin-1-yl)morpholine;hydrochloride?
4-(3-thiophen-2-ylisoquinolin-1-yl)morpholine;hydrochloride has a molecular weight of 332.86 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-thiophen-2-ylisoquinolin-1-yl)morpholine;hydrochloride is sourced from PubChem (CID 90681462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).