3-[3-[(3S)-3-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one

C17H23N3O2S — CID 95181357

IUPAC3-[3-[(3S)-3-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one
SMILESCN(C)[C@H]1Cc2ccccc2N(C(=O)CCN2CCSC2=O)C1
InChIInChI=1S/C17H23N3O2S/c1-18(2)14-11-13-5-3-4-6-15(13)20(12-14)16(21)7-8-19-9-10-23-17(19)22/h3-6,14H,7-12H2,1-2H3/t14-/m0/s1
InChIKeyBUYGFCIOGPLMLH-AWEZNQCLSA-N
MW333.46 g/mol
LogP2.06
Rot. Bonds4

About 3-[3-[(3S)-3-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one

3-[3-[(3S)-3-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one (PubChem CID 95181357) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 3-[3-[(3S)-3-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name3-[3-[(3S)-3-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one
PubChem CID95181357
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name3-[3-[(3S)-3-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one
SMILESCN(C)[C@H]1Cc2ccccc2N(C(=O)CCN2CCSC2=O)C1
InChIInChI=1S/C17H23N3O2S/c1-18(2)14-11-13-5-3-4-6-15(13)20(12-14)16(21)7-8-19-9-10-23-17(19)22/h3-6,14H,7-12H2,1-2H3/t14-/m0/s1
InChIKeyBUYGFCIOGPLMLH-AWEZNQCLSA-N
XLogP2.06
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

3-[3-[3-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one
CID 71877472
3-[3-[(4R)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one
CID 51983418
3-[3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one
CID 9488494
4-(1,3-benzothiazol-2-yl)-1-[3-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one
CID 166200219
2-(1,2-benzothiazol-3-yl)-1-[3-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 154762437
1-[4-[2-[(3S)-3-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one
CID 95181355
3-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 63466515
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanehydrazide
CID 25336509
3-[3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one
CID 66053351
1,3-bis(2,3-dihydroindol-1-yl)propan-1-one
CID 109034718
1-butanoyl-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902190
[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 3-(2-oxo-1,3-thiazolidin-3-yl)propanoate
CID 55442865

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3S)-3-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one?
The IUPAC name of 3-[3-[(3S)-3-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one (CID 95181357) is 3-[3-[(3S)-3-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one.
What is the SMILES notation for 3-[3-[(3S)-3-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one?
The canonical SMILES for 3-[3-[(3S)-3-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one is CN(C)[C@H]1Cc2ccccc2N(C(=O)CCN2CCSC2=O)C1.
What is the InChIKey of 3-[3-[(3S)-3-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one?
The InChIKey is BUYGFCIOGPLMLH-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-18(2)14-11-13-5-3-4-6-15(13)20(12-14)16(21)7-8-19-9-10-23-17(19)22/h3-6,14H,7-12H2,1-2H3/t14-/m0/s1.
What are the key properties of 3-[3-[(3S)-3-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one?
3-[3-[(3S)-3-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one has a molecular weight of 333.46 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3S)-3-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one is sourced from PubChem (CID 95181357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).