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

C17H16N2OS — CID 90681461

IUPAC4-(3-thiophen-2-ylisoquinolin-1-yl)morpholine
SMILESc1csc(-c2cc3ccccc3c(N3CCOCC3)n2)c1
InChIInChI=1S/C17H16N2OS/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
InChIKeySUNVTLCXPIICOT-UHFFFAOYSA-N
MW296.39 g/mol
LogP3.80
Rot. Bonds2

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

4-(3-thiophen-2-ylisoquinolin-1-yl)morpholine (PubChem CID 90681461) has the molecular formula C17H16N2OS and a molecular weight of 296.39 g/mol. Its IUPAC name is 4-(3-thiophen-2-ylisoquinolin-1-yl)morpholine.

Molecular Properties

Compound Name4-(3-thiophen-2-ylisoquinolin-1-yl)morpholine
PubChem CID90681461
Molecular FormulaC17H16N2OS
Molecular Weight296.39 g/mol
Exact Mass296.10
IUPAC Name4-(3-thiophen-2-ylisoquinolin-1-yl)morpholine
SMILESc1csc(-c2cc3ccccc3c(N3CCOCC3)n2)c1
InChIInChI=1S/C17H16N2OS/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
InChIKeySUNVTLCXPIICOT-UHFFFAOYSA-N
XLogP3.80
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-thiophen-2-ylisoquinolin-1-yl)morpholine?
The IUPAC name of 4-(3-thiophen-2-ylisoquinolin-1-yl)morpholine (CID 90681461) is 4-(3-thiophen-2-ylisoquinolin-1-yl)morpholine.
What is the SMILES notation for 4-(3-thiophen-2-ylisoquinolin-1-yl)morpholine?
The canonical SMILES for 4-(3-thiophen-2-ylisoquinolin-1-yl)morpholine is c1csc(-c2cc3ccccc3c(N3CCOCC3)n2)c1.
What is the InChIKey of 4-(3-thiophen-2-ylisoquinolin-1-yl)morpholine?
The InChIKey is SUNVTLCXPIICOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/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.
What are the key properties of 4-(3-thiophen-2-ylisoquinolin-1-yl)morpholine?
4-(3-thiophen-2-ylisoquinolin-1-yl)morpholine has a molecular weight of 296.39 g/mol, XLogP of 3.80, 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 is sourced from PubChem (CID 90681461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).