(1-quinolin-4-ylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone

C18H21N3OS — CID 165435539

IUPAC(1-quinolin-4-ylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone
SMILESO=C(C1CCN(c2ccnc3ccccc23)C1)N1CCSCC1
InChIInChI=1S/C18H21N3OS/c22-18(20-9-11-23-12-10-20)14-6-8-21(13-14)17-5-7-19-16-4-2-1-3-15(16)17/h1-5,7,14H,6,8-13H2
InChIKeyXUYKEXPWOBFWAD-UHFFFAOYSA-N
MW327.45 g/mol
LogP2.64
Rot. Bonds2

About (1-quinolin-4-ylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone

(1-quinolin-4-ylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone (PubChem CID 165435539) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is (1-quinolin-4-ylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name(1-quinolin-4-ylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone
PubChem CID165435539
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC Name(1-quinolin-4-ylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone
SMILESO=C(C1CCN(c2ccnc3ccccc23)C1)N1CCSCC1
InChIInChI=1S/C18H21N3OS/c22-18(20-9-11-23-12-10-20)14-6-8-21(13-14)17-5-7-19-16-4-2-1-3-15(16)17/h1-5,7,14H,6,8-13H2
InChIKeyXUYKEXPWOBFWAD-UHFFFAOYSA-N
XLogP2.64
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-quinolin-4-ylmorpholin-2-yl)-thiomorpholin-4-ylmethanone
CID 163346299
pyrrolidin-1-yl-[1-(1-quinolin-4-ylpiperidin-4-yl)piperidin-3-yl]methanone
CID 56868753
[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone
CID 165434788
1-(1-quinolin-4-ylpiperidin-4-yl)ethanone
CID 63845490
N-tert-butyl-1-quinolin-4-ylpyrrolidine-3-carboxamide
CID 155800306
[1-(1,3-benzothiazol-2-yl)pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone
CID 165435526
(1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone
CID 165435156
[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 163357788
[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone
CID 163343452
[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 163358227
(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)-thiomorpholin-4-ylmethanone
CID 163346136
[1-(6-methylquinolin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 133467900

Frequently Asked Questions

What is the IUPAC name of (1-quinolin-4-ylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone?
The IUPAC name of (1-quinolin-4-ylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone (CID 165435539) is (1-quinolin-4-ylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone.
What is the SMILES notation for (1-quinolin-4-ylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone?
The canonical SMILES for (1-quinolin-4-ylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone is O=C(C1CCN(c2ccnc3ccccc23)C1)N1CCSCC1.
What is the InChIKey of (1-quinolin-4-ylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone?
The InChIKey is XUYKEXPWOBFWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c22-18(20-9-11-23-12-10-20)14-6-8-21(13-14)17-5-7-19-16-4-2-1-3-15(16)17/h1-5,7,14H,6,8-13H2.
What are the key properties of (1-quinolin-4-ylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone?
(1-quinolin-4-ylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone has a molecular weight of 327.45 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-quinolin-4-ylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 165435539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).