(4-thiomorpholin-4-ylpiperidin-1-yl)-(2,3,6-trimethylquinolin-4-yl)methanone

C22H29N3OS — CID 72862430

IUPAC(4-thiomorpholin-4-ylpiperidin-1-yl)-(2,3,6-trimethylquinolin-4-yl)methanone
SMILESCc1ccc2nc(C)c(C)c(C(=O)N3CCC(N4CCSCC4)CC3)c2c1
InChIInChI=1S/C22H29N3OS/c1-15-4-5-20-19(14-15)21(16(2)17(3)23-20)22(26)25-8-6-18(7-9-25)24-10-12-27-13-11-24/h4-5,14,18H,6-13H2,1-3H3
InChIKeyTWFFWXXWSGORGJ-UHFFFAOYSA-N
MW383.56 g/mol
LogP3.81
Rot. Bonds2

About (4-thiomorpholin-4-ylpiperidin-1-yl)-(2,3,6-trimethylquinolin-4-yl)methanone

(4-thiomorpholin-4-ylpiperidin-1-yl)-(2,3,6-trimethylquinolin-4-yl)methanone (PubChem CID 72862430) has the molecular formula C22H29N3OS and a molecular weight of 383.56 g/mol. Its IUPAC name is (4-thiomorpholin-4-ylpiperidin-1-yl)-(2,3,6-trimethylquinolin-4-yl)methanone.

Molecular Properties

Compound Name(4-thiomorpholin-4-ylpiperidin-1-yl)-(2,3,6-trimethylquinolin-4-yl)methanone
PubChem CID72862430
Molecular FormulaC22H29N3OS
Molecular Weight383.56 g/mol
Exact Mass383.20
IUPAC Name(4-thiomorpholin-4-ylpiperidin-1-yl)-(2,3,6-trimethylquinolin-4-yl)methanone
SMILESCc1ccc2nc(C)c(C)c(C(=O)N3CCC(N4CCSCC4)CC3)c2c1
InChIInChI=1S/C22H29N3OS/c1-15-4-5-20-19(14-15)21(16(2)17(3)23-20)22(26)25-8-6-18(7-9-25)24-10-12-27-13-11-24/h4-5,14,18H,6-13H2,1-3H3
InChIKeyTWFFWXXWSGORGJ-UHFFFAOYSA-N
XLogP3.81
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.56
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-thiomorpholin-4-ylpiperidin-1-yl)-(2,3,6-trimethylquinolin-4-yl)methanone with MolForge

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Related Compounds

1,3-dihydroisoindol-2-yl-(2,3,6-trimethylquinolin-4-yl)methanone
CID 72873941
furan-3-yl-[4-(2,3,6-trimethylquinoline-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 72924231
(2,4-dimethylquinolin-7-yl)-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone
CID 77096580
8-(2,3,6-trimethylquinoline-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 50951317
morpholin-4-yl-[1-(2,3,6-trimethylquinoline-4-carbonyl)piperidin-3-yl]methanone
CID 131894267
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(2,3,6-trimethylquinolin-4-yl)methanone;dihydrochloride
CID 154899877
[4-(2-ethoxyphenyl)piperazin-1-yl]-(2,3,6-trimethylquinolin-4-yl)methanone
CID 131893621
2,3,6-trimethylquinoline-4-carbonyl chloride
CID 146553345
N-[(3R)-1-acetylpiperidin-3-yl]-2,3,6-trimethylquinoline-4-carboxamide
CID 97274873
(2-pyridin-2-ylpiperidin-1-yl)-(2,3,6-trimethylquinolin-4-yl)methanone
CID 72876256
[4-(azepan-1-yl)piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
CID 110667059
3-ethyl-4-(2,3,6-trimethylquinoline-4-carbonyl)piperazin-2-one
CID 72903841

Frequently Asked Questions

What is the IUPAC name of (4-thiomorpholin-4-ylpiperidin-1-yl)-(2,3,6-trimethylquinolin-4-yl)methanone?
The IUPAC name of (4-thiomorpholin-4-ylpiperidin-1-yl)-(2,3,6-trimethylquinolin-4-yl)methanone (CID 72862430) is (4-thiomorpholin-4-ylpiperidin-1-yl)-(2,3,6-trimethylquinolin-4-yl)methanone.
What is the SMILES notation for (4-thiomorpholin-4-ylpiperidin-1-yl)-(2,3,6-trimethylquinolin-4-yl)methanone?
The canonical SMILES for (4-thiomorpholin-4-ylpiperidin-1-yl)-(2,3,6-trimethylquinolin-4-yl)methanone is Cc1ccc2nc(C)c(C)c(C(=O)N3CCC(N4CCSCC4)CC3)c2c1.
What is the InChIKey of (4-thiomorpholin-4-ylpiperidin-1-yl)-(2,3,6-trimethylquinolin-4-yl)methanone?
The InChIKey is TWFFWXXWSGORGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3OS/c1-15-4-5-20-19(14-15)21(16(2)17(3)23-20)22(26)25-8-6-18(7-9-25)24-10-12-27-13-11-24/h4-5,14,18H,6-13H2,1-3H3.
What are the key properties of (4-thiomorpholin-4-ylpiperidin-1-yl)-(2,3,6-trimethylquinolin-4-yl)methanone?
(4-thiomorpholin-4-ylpiperidin-1-yl)-(2,3,6-trimethylquinolin-4-yl)methanone has a molecular weight of 383.56 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-thiomorpholin-4-ylpiperidin-1-yl)-(2,3,6-trimethylquinolin-4-yl)methanone is sourced from PubChem (CID 72862430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).