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

C18H18N2OS — CID 90681590

IUPAC4-(6-methyl-3-thiophen-2-ylisoquinolin-1-yl)morpholine
SMILESCc1ccc2c(N3CCOCC3)nc(-c3cccs3)cc2c1
InChIInChI=1S/C18H18N2OS/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
InChIKeyNEXJUVWRUUEZGA-UHFFFAOYSA-N
MW310.42 g/mol
LogP4.11
Rot. Bonds2

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

4-(6-methyl-3-thiophen-2-ylisoquinolin-1-yl)morpholine (PubChem CID 90681590) has the molecular formula C18H18N2OS and a molecular weight of 310.42 g/mol. Its IUPAC name is 4-(6-methyl-3-thiophen-2-ylisoquinolin-1-yl)morpholine.

Molecular Properties

Compound Name4-(6-methyl-3-thiophen-2-ylisoquinolin-1-yl)morpholine
PubChem CID90681590
Molecular FormulaC18H18N2OS
Molecular Weight310.42 g/mol
Exact Mass310.11
IUPAC Name4-(6-methyl-3-thiophen-2-ylisoquinolin-1-yl)morpholine
SMILESCc1ccc2c(N3CCOCC3)nc(-c3cccs3)cc2c1
InChIInChI=1S/C18H18N2OS/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
InChIKeyNEXJUVWRUUEZGA-UHFFFAOYSA-N
XLogP4.11
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(6-methyl-3-thiophen-2-ylisoquinolin-1-yl)morpholine 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-(6-methyl-3-thiophen-2-ylisoquinolin-1-yl)morpholine?
The IUPAC name of 4-(6-methyl-3-thiophen-2-ylisoquinolin-1-yl)morpholine (CID 90681590) is 4-(6-methyl-3-thiophen-2-ylisoquinolin-1-yl)morpholine.
What is the SMILES notation for 4-(6-methyl-3-thiophen-2-ylisoquinolin-1-yl)morpholine?
The canonical SMILES for 4-(6-methyl-3-thiophen-2-ylisoquinolin-1-yl)morpholine is Cc1ccc2c(N3CCOCC3)nc(-c3cccs3)cc2c1.
What is the InChIKey of 4-(6-methyl-3-thiophen-2-ylisoquinolin-1-yl)morpholine?
The InChIKey is NEXJUVWRUUEZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2OS/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.
What are the key properties of 4-(6-methyl-3-thiophen-2-ylisoquinolin-1-yl)morpholine?
4-(6-methyl-3-thiophen-2-ylisoquinolin-1-yl)morpholine has a molecular weight of 310.42 g/mol, XLogP of 4.11, 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 is sourced from PubChem (CID 90681590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).