(4-quinolin-4-ylmorpholin-2-yl)-thiomorpholin-4-ylmethanone

C18H21N3O2S — CID 163346299

IUPAC(4-quinolin-4-ylmorpholin-2-yl)-thiomorpholin-4-ylmethanone
SMILESO=C(C1CN(c2ccnc3ccccc23)CCO1)N1CCSCC1
InChIInChI=1S/C18H21N3O2S/c22-18(20-8-11-24-12-9-20)17-13-21(7-10-23-17)16-5-6-19-15-4-2-1-3-14(15)16/h1-6,17H,7-13H2
InChIKeyLLNSXYRKKQXIPT-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.02
Rot. Bonds2

About (4-quinolin-4-ylmorpholin-2-yl)-thiomorpholin-4-ylmethanone

(4-quinolin-4-ylmorpholin-2-yl)-thiomorpholin-4-ylmethanone (PubChem CID 163346299) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is (4-quinolin-4-ylmorpholin-2-yl)-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-quinolin-4-ylmorpholin-2-yl)-thiomorpholin-4-ylmethanone
PubChem CID163346299
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name(4-quinolin-4-ylmorpholin-2-yl)-thiomorpholin-4-ylmethanone
SMILESO=C(C1CN(c2ccnc3ccccc23)CCO1)N1CCSCC1
InChIInChI=1S/C18H21N3O2S/c22-18(20-8-11-24-12-9-20)17-13-21(7-10-23-17)16-5-6-19-15-4-2-1-3-14(15)16/h1-6,17H,7-13H2
InChIKeyLLNSXYRKKQXIPT-UHFFFAOYSA-N
XLogP2.02
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-quinolin-4-ylmorpholin-2-yl)-thiomorpholin-4-ylmethanone?
The IUPAC name of (4-quinolin-4-ylmorpholin-2-yl)-thiomorpholin-4-ylmethanone (CID 163346299) is (4-quinolin-4-ylmorpholin-2-yl)-thiomorpholin-4-ylmethanone.
What is the SMILES notation for (4-quinolin-4-ylmorpholin-2-yl)-thiomorpholin-4-ylmethanone?
The canonical SMILES for (4-quinolin-4-ylmorpholin-2-yl)-thiomorpholin-4-ylmethanone is O=C(C1CN(c2ccnc3ccccc23)CCO1)N1CCSCC1.
What is the InChIKey of (4-quinolin-4-ylmorpholin-2-yl)-thiomorpholin-4-ylmethanone?
The InChIKey is LLNSXYRKKQXIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c22-18(20-8-11-24-12-9-20)17-13-21(7-10-23-17)16-5-6-19-15-4-2-1-3-14(15)16/h1-6,17H,7-13H2.
What are the key properties of (4-quinolin-4-ylmorpholin-2-yl)-thiomorpholin-4-ylmethanone?
(4-quinolin-4-ylmorpholin-2-yl)-thiomorpholin-4-ylmethanone has a molecular weight of 343.45 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-quinolin-4-ylmorpholin-2-yl)-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 163346299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).