6-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one

C17H19N3O2S — CID 131960408

IUPAC6-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(-c3csc(CN4CCOCC4)n3)ccc2N1
InChIInChI=1S/C17H19N3O2S/c21-16-4-2-12-9-13(1-3-14(12)18-16)15-11-23-17(19-15)10-20-5-7-22-8-6-20/h1,3,9,11H,2,4-8,10H2,(H,18,21)
InChIKeyMUZBKAVUAJFSGL-UHFFFAOYSA-N
MW329.42 g/mol
LogP2.53
Rot. Bonds3

About 6-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one

6-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 131960408) has the molecular formula C17H19N3O2S and a molecular weight of 329.42 g/mol. Its IUPAC name is 6-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID131960408
Molecular FormulaC17H19N3O2S
Molecular Weight329.42 g/mol
Exact Mass329.12
IUPAC Name6-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(-c3csc(CN4CCOCC4)n3)ccc2N1
InChIInChI=1S/C17H19N3O2S/c21-16-4-2-12-9-13(1-3-14(12)18-16)15-11-23-17(19-15)10-20-5-7-22-8-6-20/h1,3,9,11H,2,4-8,10H2,(H,18,21)
InChIKeyMUZBKAVUAJFSGL-UHFFFAOYSA-N
XLogP2.53
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one (CID 131960408) is 6-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(-c3csc(CN4CCOCC4)n3)ccc2N1.
What is the InChIKey of 6-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is MUZBKAVUAJFSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c21-16-4-2-12-9-13(1-3-14(12)18-16)15-11-23-17(19-15)10-20-5-7-22-8-6-20/h1,3,9,11H,2,4-8,10H2,(H,18,21).
What are the key properties of 6-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
6-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 329.42 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 131960408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).