5-[[4-methoxy-3-(7-methyl-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)phenyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one

C24H28N2O2S2 — CID 11743980

IUPAC5-[[4-methoxy-3-(7-methyl-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)phenyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCOc1ccc(CC2SC(=S)NC2=O)cc1-c1cc2c(cc1C)N(C(C)C)CCC2
InChIInChI=1S/C24H28N2O2S2/c1-14(2)26-9-5-6-17-13-18(15(3)10-20(17)26)19-11-16(7-8-21(19)28-4)12-22-23(27)25-24(29)30-22/h7-8,10-11,13-14,22H,5-6,9,12H2,1-4H3,(H,25,27,29)
InChIKeyZPYKPGOICNHOKY-UHFFFAOYSA-N
MW440.63 g/mol
LogP4.89
Rot. Bonds5

About 5-[[4-methoxy-3-(7-methyl-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)phenyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one

5-[[4-methoxy-3-(7-methyl-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)phenyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 11743980) has the molecular formula C24H28N2O2S2 and a molecular weight of 440.63 g/mol. Its IUPAC name is 5-[[4-methoxy-3-(7-methyl-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)phenyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[[4-methoxy-3-(7-methyl-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)phenyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID11743980
Molecular FormulaC24H28N2O2S2
Molecular Weight440.63 g/mol
Exact Mass440.16
IUPAC Name5-[[4-methoxy-3-(7-methyl-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)phenyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCOc1ccc(CC2SC(=S)NC2=O)cc1-c1cc2c(cc1C)N(C(C)C)CCC2
InChIInChI=1S/C24H28N2O2S2/c1-14(2)26-9-5-6-17-13-18(15(3)10-20(17)26)19-11-16(7-8-21(19)28-4)12-22-23(27)25-24(29)30-22/h7-8,10-11,13-14,22H,5-6,9,12H2,1-4H3,(H,25,27,29)
InChIKeyZPYKPGOICNHOKY-UHFFFAOYSA-N
XLogP4.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.63
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-methoxy-3-(7-methyl-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)phenyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 5-[[4-methoxy-3-(7-methyl-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)phenyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 11743980) is 5-[[4-methoxy-3-(7-methyl-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)phenyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[[4-methoxy-3-(7-methyl-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)phenyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[[4-methoxy-3-(7-methyl-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)phenyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one is COc1ccc(CC2SC(=S)NC2=O)cc1-c1cc2c(cc1C)N(C(C)C)CCC2.
What is the InChIKey of 5-[[4-methoxy-3-(7-methyl-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)phenyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is ZPYKPGOICNHOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2S2/c1-14(2)26-9-5-6-17-13-18(15(3)10-20(17)26)19-11-16(7-8-21(19)28-4)12-22-23(27)25-24(29)30-22/h7-8,10-11,13-14,22H,5-6,9,12H2,1-4H3,(H,25,27,29).
What are the key properties of 5-[[4-methoxy-3-(7-methyl-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)phenyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one?
5-[[4-methoxy-3-(7-methyl-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)phenyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 440.63 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-methoxy-3-(7-methyl-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)phenyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 11743980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).