3-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]thiomorpholine

C17H18N4OS — CID 142382904

IUPAC3-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]thiomorpholine
SMILESCOc1nc2ccccc2cc1-c1cnc(C2CSCCN2)[nH]1
InChIInChI=1S/C17H18N4OS/c1-22-17-12(8-11-4-2-3-5-13(11)21-17)14-9-19-16(20-14)15-10-23-7-6-18-15/h2-5,8-9,15,18H,6-7,10H2,1H3,(H,19,20)
InChIKeyXORGKRMAHIJFEY-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.01
Rot. Bonds3

About 3-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]thiomorpholine

3-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]thiomorpholine (PubChem CID 142382904) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is 3-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]thiomorpholine.

Molecular Properties

Compound Name3-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]thiomorpholine
PubChem CID142382904
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name3-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]thiomorpholine
SMILESCOc1nc2ccccc2cc1-c1cnc(C2CSCCN2)[nH]1
InChIInChI=1S/C17H18N4OS/c1-22-17-12(8-11-4-2-3-5-13(11)21-17)14-9-19-16(20-14)15-10-23-7-6-18-15/h2-5,8-9,15,18H,6-7,10H2,1H3,(H,19,20)
InChIKeyXORGKRMAHIJFEY-UHFFFAOYSA-N
XLogP3.01
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]thiomorpholine?
The IUPAC name of 3-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]thiomorpholine (CID 142382904) is 3-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]thiomorpholine.
What is the SMILES notation for 3-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]thiomorpholine?
The canonical SMILES for 3-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]thiomorpholine is COc1nc2ccccc2cc1-c1cnc(C2CSCCN2)[nH]1.
What is the InChIKey of 3-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]thiomorpholine?
The InChIKey is XORGKRMAHIJFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-22-17-12(8-11-4-2-3-5-13(11)21-17)14-9-19-16(20-14)15-10-23-7-6-18-15/h2-5,8-9,15,18H,6-7,10H2,1H3,(H,19,20).
What are the key properties of 3-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]thiomorpholine?
3-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]thiomorpholine has a molecular weight of 326.43 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]thiomorpholine is sourced from PubChem (CID 142382904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).