2-(4-cyclopropyl-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one

C23H25N3O2S — CID 146322241

IUPAC2-(4-cyclopropyl-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one
SMILESCc1ccc(N2C(=O)CSC2c2ccc3c(c2)N(C2CC2)C(C)C(=O)N3C)cc1
InChIInChI=1S/C23H25N3O2S/c1-14-4-7-18(8-5-14)26-21(27)13-29-23(26)16-6-11-19-20(12-16)25(17-9-10-17)15(2)22(28)24(19)3/h4-8,11-12,15,17,23H,9-10,13H2,1-3H3
InChIKeyIUZRUBNUYDSUAT-UHFFFAOYSA-N
MW407.54 g/mol
LogP4.11
Rot. Bonds3

About 2-(4-cyclopropyl-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one

2-(4-cyclopropyl-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one (PubChem CID 146322241) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is 2-(4-cyclopropyl-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-cyclopropyl-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one
PubChem CID146322241
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC Name2-(4-cyclopropyl-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one
SMILESCc1ccc(N2C(=O)CSC2c2ccc3c(c2)N(C2CC2)C(C)C(=O)N3C)cc1
InChIInChI=1S/C23H25N3O2S/c1-14-4-7-18(8-5-14)26-21(27)13-29-23(26)16-6-11-19-20(12-16)25(17-9-10-17)15(2)22(28)24(19)3/h4-8,11-12,15,17,23H,9-10,13H2,1-3H3
InChIKeyIUZRUBNUYDSUAT-UHFFFAOYSA-N
XLogP4.11
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-cyclopropyl-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one (CID 146322241) is 2-(4-cyclopropyl-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-cyclopropyl-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-cyclopropyl-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one is Cc1ccc(N2C(=O)CSC2c2ccc3c(c2)N(C2CC2)C(C)C(=O)N3C)cc1.
What is the InChIKey of 2-(4-cyclopropyl-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is IUZRUBNUYDSUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2S/c1-14-4-7-18(8-5-14)26-21(27)13-29-23(26)16-6-11-19-20(12-16)25(17-9-10-17)15(2)22(28)24(19)3/h4-8,11-12,15,17,23H,9-10,13H2,1-3H3.
What are the key properties of 2-(4-cyclopropyl-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one?
2-(4-cyclopropyl-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 407.54 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 146322241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).