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

C16H20N2O2S — CID 9488494

IUPAC3-[3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one
SMILESC[C@@H]1CCc2ccccc2N1C(=O)CCN1CCSC1=O
InChIInChI=1S/C16H20N2O2S/c1-12-6-7-13-4-2-3-5-14(13)18(12)15(19)8-9-17-10-11-21-16(17)20/h2-5,12H,6-11H2,1H3/t12-/m1/s1
InChIKeyPSCBQKYUIQBMSS-GFCCVEGCSA-N
MW304.42 g/mol
LogP2.91
Rot. Bonds3

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

3-[3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one (PubChem CID 9488494) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-[3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name3-[3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one
PubChem CID9488494
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name3-[3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one
SMILESC[C@@H]1CCc2ccccc2N1C(=O)CCN1CCSC1=O
InChIInChI=1S/C16H20N2O2S/c1-12-6-7-13-4-2-3-5-14(13)18(12)15(19)8-9-17-10-11-21-16(17)20/h2-5,12H,6-11H2,1H3/t12-/m1/s1
InChIKeyPSCBQKYUIQBMSS-GFCCVEGCSA-N
XLogP2.91
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one with MolForge

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Related Compounds

3-chloro-1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 36690377
3-[3-[(4R)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one
CID 51983418
3-[3-[(3S)-3-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one
CID 95181357
3-[3-[3-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one
CID 71877472
1-[3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]cinnolin-4-one
CID 9488517
4-[(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]butanoic acid
CID 61183225
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanehydrazide
CID 25336509
2-bromo-2-methyl-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 116816888
1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[3-methyl-4-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone
CID 55627224
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one
CID 7330983
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 109024627
5-fluoro-1-[2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]pyridin-2-one
CID 99831437

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one?
The IUPAC name of 3-[3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one (CID 9488494) is 3-[3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one.
What is the SMILES notation for 3-[3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one?
The canonical SMILES for 3-[3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one is C[C@@H]1CCc2ccccc2N1C(=O)CCN1CCSC1=O.
What is the InChIKey of 3-[3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one?
The InChIKey is PSCBQKYUIQBMSS-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-12-6-7-13-4-2-3-5-14(13)18(12)15(19)8-9-17-10-11-21-16(17)20/h2-5,12H,6-11H2,1H3/t12-/m1/s1.
What are the key properties of 3-[3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one?
3-[3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one has a molecular weight of 304.42 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one is sourced from PubChem (CID 9488494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).