9-methyl-2-(morpholin-4-ylmethyl)-4H-[1,3]thiazolo[5,4-c]isoquinolin-5-one

C16H17N3O2S — CID 71287880

IUPAC9-methyl-2-(morpholin-4-ylmethyl)-4H-[1,3]thiazolo[5,4-c]isoquinolin-5-one
SMILESCc1cccc2c(=O)[nH]c3sc(CN4CCOCC4)nc3c12
InChIInChI=1S/C16H17N3O2S/c1-10-3-2-4-11-13(10)14-16(18-15(11)20)22-12(17-14)9-19-5-7-21-8-6-19/h2-4H,5-9H2,1H3,(H,18,20)
InChIKeyMONPZRSEHQOAQZ-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.28
Rot. Bonds2

About 9-methyl-2-(morpholin-4-ylmethyl)-4H-[1,3]thiazolo[5,4-c]isoquinolin-5-one

9-methyl-2-(morpholin-4-ylmethyl)-4H-[1,3]thiazolo[5,4-c]isoquinolin-5-one (PubChem CID 71287880) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 9-methyl-2-(morpholin-4-ylmethyl)-4H-[1,3]thiazolo[5,4-c]isoquinolin-5-one.

Molecular Properties

Compound Name9-methyl-2-(morpholin-4-ylmethyl)-4H-[1,3]thiazolo[5,4-c]isoquinolin-5-one
PubChem CID71287880
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name9-methyl-2-(morpholin-4-ylmethyl)-4H-[1,3]thiazolo[5,4-c]isoquinolin-5-one
SMILESCc1cccc2c(=O)[nH]c3sc(CN4CCOCC4)nc3c12
InChIInChI=1S/C16H17N3O2S/c1-10-3-2-4-11-13(10)14-16(18-15(11)20)22-12(17-14)9-19-5-7-21-8-6-19/h2-4H,5-9H2,1H3,(H,18,20)
InChIKeyMONPZRSEHQOAQZ-UHFFFAOYSA-N
XLogP2.28
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-(morpholin-4-ylmethyl)-4H-[1,3]thiazolo[5,4-c]isoquinolin-5-one?
The IUPAC name of 9-methyl-2-(morpholin-4-ylmethyl)-4H-[1,3]thiazolo[5,4-c]isoquinolin-5-one (CID 71287880) is 9-methyl-2-(morpholin-4-ylmethyl)-4H-[1,3]thiazolo[5,4-c]isoquinolin-5-one.
What is the SMILES notation for 9-methyl-2-(morpholin-4-ylmethyl)-4H-[1,3]thiazolo[5,4-c]isoquinolin-5-one?
The canonical SMILES for 9-methyl-2-(morpholin-4-ylmethyl)-4H-[1,3]thiazolo[5,4-c]isoquinolin-5-one is Cc1cccc2c(=O)[nH]c3sc(CN4CCOCC4)nc3c12.
What is the InChIKey of 9-methyl-2-(morpholin-4-ylmethyl)-4H-[1,3]thiazolo[5,4-c]isoquinolin-5-one?
The InChIKey is MONPZRSEHQOAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-10-3-2-4-11-13(10)14-16(18-15(11)20)22-12(17-14)9-19-5-7-21-8-6-19/h2-4H,5-9H2,1H3,(H,18,20).
What are the key properties of 9-methyl-2-(morpholin-4-ylmethyl)-4H-[1,3]thiazolo[5,4-c]isoquinolin-5-one?
9-methyl-2-(morpholin-4-ylmethyl)-4H-[1,3]thiazolo[5,4-c]isoquinolin-5-one has a molecular weight of 315.40 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-(morpholin-4-ylmethyl)-4H-[1,3]thiazolo[5,4-c]isoquinolin-5-one is sourced from PubChem (CID 71287880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).