1-[4-(3,4-dihydro-2H-quinolin-1-yl)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone

C20H25N3OS — CID 159850532

IUPAC1-[4-(3,4-dihydro-2H-quinolin-1-yl)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCc1csc(CC(=O)N2CCC(N3CCCc4ccccc43)CC2)n1
InChIInChI=1S/C20H25N3OS/c1-15-14-25-19(21-15)13-20(24)22-11-8-17(9-12-22)23-10-4-6-16-5-2-3-7-18(16)23/h2-3,5,7,14,17H,4,6,8-13H2,1H3
InChIKeyNPWIFLGUFMSGNS-UHFFFAOYSA-N
MW355.51 g/mol
LogP3.44
Rot. Bonds3

About 1-[4-(3,4-dihydro-2H-quinolin-1-yl)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone

1-[4-(3,4-dihydro-2H-quinolin-1-yl)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone (PubChem CID 159850532) has the molecular formula C20H25N3OS and a molecular weight of 355.51 g/mol. Its IUPAC name is 1-[4-(3,4-dihydro-2H-quinolin-1-yl)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-[4-(3,4-dihydro-2H-quinolin-1-yl)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
PubChem CID159850532
Molecular FormulaC20H25N3OS
Molecular Weight355.51 g/mol
Exact Mass355.17
IUPAC Name1-[4-(3,4-dihydro-2H-quinolin-1-yl)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCc1csc(CC(=O)N2CCC(N3CCCc4ccccc43)CC2)n1
InChIInChI=1S/C20H25N3OS/c1-15-14-25-19(21-15)13-20(24)22-11-8-17(9-12-22)23-10-4-6-16-5-2-3-7-18(16)23/h2-3,5,7,14,17H,4,6,8-13H2,1H3
InChIKeyNPWIFLGUFMSGNS-UHFFFAOYSA-N
XLogP3.44
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(3,4-dihydro-2H-quinolin-1-yl)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone with MolForge

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 110484520
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 110484549
3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-1-carboxylic acid
CID 67493051
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 43138079
2-[[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-yl]methyl]isoindole-1,3-dione
CID 9324948
1-(1-propan-2-ylpiperidin-4-yl)-3,4-dihydro-2H-quinoline
CID 23570249
3-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]-2-oxoethyl]-N-methylbenzamide
CID 157103593
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 43138039
2-(2-chlorophenyl)-1-[4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone
CID 3492288
2-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-methylpiperidin-1-yl)ethanone
CID 54816851
1-[1-[(E)-but-2-enyl]piperidin-4-yl]-3,4-dihydro-2H-quinoline
CID 21135886
1-[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-(4-phenylphenyl)ethanone;hydrochloride
CID 121067613

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dihydro-2H-quinolin-1-yl)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-[4-(3,4-dihydro-2H-quinolin-1-yl)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone (CID 159850532) is 1-[4-(3,4-dihydro-2H-quinolin-1-yl)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-[4-(3,4-dihydro-2H-quinolin-1-yl)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-[4-(3,4-dihydro-2H-quinolin-1-yl)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone is Cc1csc(CC(=O)N2CCC(N3CCCc4ccccc43)CC2)n1.
What is the InChIKey of 1-[4-(3,4-dihydro-2H-quinolin-1-yl)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The InChIKey is NPWIFLGUFMSGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3OS/c1-15-14-25-19(21-15)13-20(24)22-11-8-17(9-12-22)23-10-4-6-16-5-2-3-7-18(16)23/h2-3,5,7,14,17H,4,6,8-13H2,1H3.
What are the key properties of 1-[4-(3,4-dihydro-2H-quinolin-1-yl)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
1-[4-(3,4-dihydro-2H-quinolin-1-yl)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone has a molecular weight of 355.51 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dihydro-2H-quinolin-1-yl)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 159850532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).