(5E)-2-methylidene-5-[[4-[2-[(1-methyl-4-oxo-2-phenyl-2,3-dihydroquinolin-3-yl)oxy]ethoxy]phenyl]methylidene]-1,3-thiazolidin-4-one

C29H26N2O4S — CID 59838511

IUPAC(5E)-2-methylidene-5-[[4-[2-[(1-methyl-4-oxo-2-phenyl-2,3-dihydroquinolin-3-yl)oxy]ethoxy]phenyl]methylidene]-1,3-thiazolidin-4-one
SMILESC=c1[nH]c(=O)/c(=C\c2ccc(OCCOC3C(=O)c4ccccc4N(C)C3c3ccccc3)cc2)s1
InChIInChI=1S/C29H26N2O4S/c1-19-30-29(33)25(36-19)18-20-12-14-22(15-13-20)34-16-17-35-28-26(21-8-4-3-5-9-21)31(2)24-11-7-6-10-23(24)27(28)32/h3-15,18,26,28H,1,16-17H2,2H3,(H,30,33)/b25-18+
InChIKeyPLSSXWXBRHHKFP-XIEYBQDHSA-N
MW498.60 g/mol
LogP3.51
Rot. Bonds7

About (5E)-2-methylidene-5-[[4-[2-[(1-methyl-4-oxo-2-phenyl-2,3-dihydroquinolin-3-yl)oxy]ethoxy]phenyl]methylidene]-1,3-thiazolidin-4-one

(5E)-2-methylidene-5-[[4-[2-[(1-methyl-4-oxo-2-phenyl-2,3-dihydroquinolin-3-yl)oxy]ethoxy]phenyl]methylidene]-1,3-thiazolidin-4-one (PubChem CID 59838511) has the molecular formula C29H26N2O4S and a molecular weight of 498.60 g/mol. Its IUPAC name is (5E)-2-methylidene-5-[[4-[2-[(1-methyl-4-oxo-2-phenyl-2,3-dihydroquinolin-3-yl)oxy]ethoxy]phenyl]methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-methylidene-5-[[4-[2-[(1-methyl-4-oxo-2-phenyl-2,3-dihydroquinolin-3-yl)oxy]ethoxy]phenyl]methylidene]-1,3-thiazolidin-4-one
PubChem CID59838511
Molecular FormulaC29H26N2O4S
Molecular Weight498.60 g/mol
Exact Mass498.16
IUPAC Name(5E)-2-methylidene-5-[[4-[2-[(1-methyl-4-oxo-2-phenyl-2,3-dihydroquinolin-3-yl)oxy]ethoxy]phenyl]methylidene]-1,3-thiazolidin-4-one
SMILESC=c1[nH]c(=O)/c(=C\c2ccc(OCCOC3C(=O)c4ccccc4N(C)C3c3ccccc3)cc2)s1
InChIInChI=1S/C29H26N2O4S/c1-19-30-29(33)25(36-19)18-20-12-14-22(15-13-20)34-16-17-35-28-26(21-8-4-3-5-9-21)31(2)24-11-7-6-10-23(24)27(28)32/h3-15,18,26,28H,1,16-17H2,2H3,(H,30,33)/b25-18+
InChIKeyPLSSXWXBRHHKFP-XIEYBQDHSA-N
XLogP3.51
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.60
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (5E)-2-methylidene-5-[[4-[2-[(1-methyl-4-oxo-2-phenyl-2,3-dihydroquinolin-3-yl)oxy]ethoxy]phenyl]methylidene]-1,3-thiazolidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5E)-2-methylidene-5-[[4-[2-[(1-methyl-4-oxo-2-phenyl-2,3-dihydroquinolin-3-yl)oxy]ethoxy]phenyl]methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-2-methylidene-5-[[4-[2-[(1-methyl-4-oxo-2-phenyl-2,3-dihydroquinolin-3-yl)oxy]ethoxy]phenyl]methylidene]-1,3-thiazolidin-4-one (CID 59838511) is (5E)-2-methylidene-5-[[4-[2-[(1-methyl-4-oxo-2-phenyl-2,3-dihydroquinolin-3-yl)oxy]ethoxy]phenyl]methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-2-methylidene-5-[[4-[2-[(1-methyl-4-oxo-2-phenyl-2,3-dihydroquinolin-3-yl)oxy]ethoxy]phenyl]methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-2-methylidene-5-[[4-[2-[(1-methyl-4-oxo-2-phenyl-2,3-dihydroquinolin-3-yl)oxy]ethoxy]phenyl]methylidene]-1,3-thiazolidin-4-one is C=c1[nH]c(=O)/c(=C\c2ccc(OCCOC3C(=O)c4ccccc4N(C)C3c3ccccc3)cc2)s1.
What is the InChIKey of (5E)-2-methylidene-5-[[4-[2-[(1-methyl-4-oxo-2-phenyl-2,3-dihydroquinolin-3-yl)oxy]ethoxy]phenyl]methylidene]-1,3-thiazolidin-4-one?
The InChIKey is PLSSXWXBRHHKFP-XIEYBQDHSA-N. The full InChI is InChI=1S/C29H26N2O4S/c1-19-30-29(33)25(36-19)18-20-12-14-22(15-13-20)34-16-17-35-28-26(21-8-4-3-5-9-21)31(2)24-11-7-6-10-23(24)27(28)32/h3-15,18,26,28H,1,16-17H2,2H3,(H,30,33)/b25-18+.
What are the key properties of (5E)-2-methylidene-5-[[4-[2-[(1-methyl-4-oxo-2-phenyl-2,3-dihydroquinolin-3-yl)oxy]ethoxy]phenyl]methylidene]-1,3-thiazolidin-4-one?
(5E)-2-methylidene-5-[[4-[2-[(1-methyl-4-oxo-2-phenyl-2,3-dihydroquinolin-3-yl)oxy]ethoxy]phenyl]methylidene]-1,3-thiazolidin-4-one has a molecular weight of 498.60 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-methylidene-5-[[4-[2-[(1-methyl-4-oxo-2-phenyl-2,3-dihydroquinolin-3-yl)oxy]ethoxy]phenyl]methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 59838511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).