4-(6-methyl-3-thiophen-2-ylisoquinolin-1-yl)morpholine;hydrochloride

C18H19ClN2OS — CID 90681591

IUPAC4-(6-methyl-3-thiophen-2-ylisoquinolin-1-yl)morpholine;hydrochloride
SMILESCc1ccc2c(N3CCOCC3)nc(-c3cccs3)cc2c1.Cl
InChIInChI=1S/C18H18N2OS.ClH/c1-13-4-5-15-14(11-13)12-16(17-3-2-10-22-17)19-18(15)20-6-8-21-9-7-20;/h2-5,10-12H,6-9H2,1H3;1H
InChIKeyNSMOBBBVDKLYQM-UHFFFAOYSA-N
MW346.88 g/mol
LogP4.53
Rot. Bonds2

About 4-(6-methyl-3-thiophen-2-ylisoquinolin-1-yl)morpholine;hydrochloride

4-(6-methyl-3-thiophen-2-ylisoquinolin-1-yl)morpholine;hydrochloride (PubChem CID 90681591) has the molecular formula C18H19ClN2OS and a molecular weight of 346.88 g/mol. Its IUPAC name is 4-(6-methyl-3-thiophen-2-ylisoquinolin-1-yl)morpholine;hydrochloride.

Molecular Properties

Compound Name4-(6-methyl-3-thiophen-2-ylisoquinolin-1-yl)morpholine;hydrochloride
PubChem CID90681591
Molecular FormulaC18H19ClN2OS
Molecular Weight346.88 g/mol
Exact Mass346.09
IUPAC Name4-(6-methyl-3-thiophen-2-ylisoquinolin-1-yl)morpholine;hydrochloride
SMILESCc1ccc2c(N3CCOCC3)nc(-c3cccs3)cc2c1.Cl
InChIInChI=1S/C18H18N2OS.ClH/c1-13-4-5-15-14(11-13)12-16(17-3-2-10-22-17)19-18(15)20-6-8-21-9-7-20;/h2-5,10-12H,6-9H2,1H3;1H
InChIKeyNSMOBBBVDKLYQM-UHFFFAOYSA-N
XLogP4.53
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-3-thiophen-2-ylisoquinolin-1-yl)morpholine;hydrochloride?
The IUPAC name of 4-(6-methyl-3-thiophen-2-ylisoquinolin-1-yl)morpholine;hydrochloride (CID 90681591) is 4-(6-methyl-3-thiophen-2-ylisoquinolin-1-yl)morpholine;hydrochloride.
What is the SMILES notation for 4-(6-methyl-3-thiophen-2-ylisoquinolin-1-yl)morpholine;hydrochloride?
The canonical SMILES for 4-(6-methyl-3-thiophen-2-ylisoquinolin-1-yl)morpholine;hydrochloride is Cc1ccc2c(N3CCOCC3)nc(-c3cccs3)cc2c1.Cl.
What is the InChIKey of 4-(6-methyl-3-thiophen-2-ylisoquinolin-1-yl)morpholine;hydrochloride?
The InChIKey is NSMOBBBVDKLYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2OS.ClH/c1-13-4-5-15-14(11-13)12-16(17-3-2-10-22-17)19-18(15)20-6-8-21-9-7-20;/h2-5,10-12H,6-9H2,1H3;1H.
What are the key properties of 4-(6-methyl-3-thiophen-2-ylisoquinolin-1-yl)morpholine;hydrochloride?
4-(6-methyl-3-thiophen-2-ylisoquinolin-1-yl)morpholine;hydrochloride has a molecular weight of 346.88 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-3-thiophen-2-ylisoquinolin-1-yl)morpholine;hydrochloride is sourced from PubChem (CID 90681591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).