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

C20H17ClN2OS — CID 31013731

IUPAC2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESO=C(Cc1csc(-c2ccccc2Cl)n1)N1CCCc2ccccc21
InChIInChI=1S/C20H17ClN2OS/c21-17-9-3-2-8-16(17)20-22-15(13-25-20)12-19(24)23-11-5-7-14-6-1-4-10-18(14)23/h1-4,6,8-10,13H,5,7,11-12H2
InChIKeyPAXZWERNLKNOJE-UHFFFAOYSA-N
MW368.89 g/mol
LogP4.99
Rot. Bonds3

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

2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 31013731) has the molecular formula C20H17ClN2OS and a molecular weight of 368.89 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID31013731
Molecular FormulaC20H17ClN2OS
Molecular Weight368.89 g/mol
Exact Mass368.08
IUPAC Name2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESO=C(Cc1csc(-c2ccccc2Cl)n1)N1CCCc2ccccc21
InChIInChI=1S/C20H17ClN2OS/c21-17-9-3-2-8-16(17)20-22-15(13-25-20)12-19(24)23-11-5-7-14-6-1-4-10-18(14)23/h1-4,6,8-10,13H,5,7,11-12H2
InChIKeyPAXZWERNLKNOJE-UHFFFAOYSA-N
XLogP4.99
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.89
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 43138079
1-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]ethanone
CID 39138168
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1,3-thiazol-4-yl)ethanone
CID 110462924
ethyl N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
CID 16883899
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 94282565
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone
CID 31235679
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]ethanone
CID 110342119
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(4-cyclopentylpiperazin-1-yl)ethanone
CID 134020651
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 8918626
N-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 41227760
2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 57328936
1-[(3R)-3-aminopyrrolidin-1-yl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethanone;dihydrochloride
CID 119411051

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 31013731) is 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone is O=C(Cc1csc(-c2ccccc2Cl)n1)N1CCCc2ccccc21.
What is the InChIKey of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is PAXZWERNLKNOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2OS/c21-17-9-3-2-8-16(17)20-22-15(13-25-20)12-19(24)23-11-5-7-14-6-1-4-10-18(14)23/h1-4,6,8-10,13H,5,7,11-12H2.
What are the key properties of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 368.89 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 31013731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).