1-[4-[2-[(4R)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one

C19H21N3O2S — CID 39006441

IUPAC1-[4-[2-[(4R)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one
SMILESC[C@@H]1CCN(C(=O)Cc2csc(N3CCCC3=O)n2)c2ccccc21
InChIInChI=1S/C19H21N3O2S/c1-13-8-10-21(16-6-3-2-5-15(13)16)18(24)11-14-12-25-19(20-14)22-9-4-7-17(22)23/h2-3,5-6,12-13H,4,7-11H2,1H3/t13-/m1/s1
InChIKeyHHBDPIQDGGKXML-CYBMUJFWSA-N
MW355.46 g/mol
LogP3.35
Rot. Bonds3

About 1-[4-[2-[(4R)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one

1-[4-[2-[(4R)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one (PubChem CID 39006441) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 1-[4-[2-[(4R)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[2-[(4R)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one
PubChem CID39006441
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name1-[4-[2-[(4R)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one
SMILESC[C@@H]1CCN(C(=O)Cc2csc(N3CCCC3=O)n2)c2ccccc21
InChIInChI=1S/C19H21N3O2S/c1-13-8-10-21(16-6-3-2-5-15(13)16)18(24)11-14-12-25-19(20-14)22-9-4-7-17(22)23/h2-3,5-6,12-13H,4,7-11H2,1H3/t13-/m1/s1
InChIKeyHHBDPIQDGGKXML-CYBMUJFWSA-N
XLogP3.35
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-Aminophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 44144354
1-[4-[3-(Dimethylamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 44144366
4-(2,3-dihydroindol-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 71657335
4-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 71657336
2-((2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl)thio)-N-(4-phenylthiazol-2-yl)acetamide
CID 2158826
N-(3,5-bis(trifluoromethyl)benzyl)-2-(2-acetamidothiazol-4-yl)-4-(4-o-tolylpiperazin-1-yl)butanamide
CID 44425258
1-(3,4-dimethylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 6497645
1-[4-[2-(Dimethylamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 44144362
1-[4-(4-Acetamidophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907660
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-(6-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carboxamide
CID 89626927
N-(4-methylphenyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 75416700
1-[4-[4-(Dimethylamino)phenyl]-2-thiazolyl]-4-piperidinecarboxamide
CID 46907722

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[(4R)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[2-[(4R)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one (CID 39006441) is 1-[4-[2-[(4R)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[2-[(4R)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[2-[(4R)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one is C[C@@H]1CCN(C(=O)Cc2csc(N3CCCC3=O)n2)c2ccccc21.
What is the InChIKey of 1-[4-[2-[(4R)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one?
The InChIKey is HHBDPIQDGGKXML-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-13-8-10-21(16-6-3-2-5-15(13)16)18(24)11-14-12-25-19(20-14)22-9-4-7-17(22)23/h2-3,5-6,12-13H,4,7-11H2,1H3/t13-/m1/s1.
What are the key properties of 1-[4-[2-[(4R)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one?
1-[4-[2-[(4R)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one has a molecular weight of 355.46 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[(4R)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 39006441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).