1-[3-oxo-3-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propyl]-3-phenylquinolin-2-one

C26H27N3O3S — CID 59940840

IUPAC1-[3-oxo-3-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propyl]-3-phenylquinolin-2-one
SMILESO=C([C@@H]1CSCN1C(=O)CCn1c(=O)c(-c2ccccc2)cc2ccccc21)N1CCCC1
InChIInChI=1S/C26H27N3O3S/c30-24(29-18-33-17-23(29)26(32)27-13-6-7-14-27)12-15-28-22-11-5-4-10-20(22)16-21(25(28)31)19-8-2-1-3-9-19/h1-5,8-11,16,23H,6-7,12-15,17-18H2/t23-/m0/s1
InChIKeyUNPZPYFGHXQUNM-QHCPKHFHSA-N
MW461.59 g/mol
LogP3.58
Rot. Bonds5

About 1-[3-oxo-3-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propyl]-3-phenylquinolin-2-one

1-[3-oxo-3-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propyl]-3-phenylquinolin-2-one (PubChem CID 59940840) has the molecular formula C26H27N3O3S and a molecular weight of 461.59 g/mol. Its IUPAC name is 1-[3-oxo-3-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propyl]-3-phenylquinolin-2-one.

Molecular Properties

Compound Name1-[3-oxo-3-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propyl]-3-phenylquinolin-2-one
PubChem CID59940840
Molecular FormulaC26H27N3O3S
Molecular Weight461.59 g/mol
Exact Mass461.18
IUPAC Name1-[3-oxo-3-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propyl]-3-phenylquinolin-2-one
SMILESO=C([C@@H]1CSCN1C(=O)CCn1c(=O)c(-c2ccccc2)cc2ccccc21)N1CCCC1
InChIInChI=1S/C26H27N3O3S/c30-24(29-18-33-17-23(29)26(32)27-13-6-7-14-27)12-15-28-22-11-5-4-10-20(22)16-21(25(28)31)19-8-2-1-3-9-19/h1-5,8-11,16,23H,6-7,12-15,17-18H2/t23-/m0/s1
InChIKeyUNPZPYFGHXQUNM-QHCPKHFHSA-N
XLogP3.58
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.59
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[3-oxo-3-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propyl]-3-phenylquinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-oxo-3-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propyl]-3-phenylquinolin-2-one?
The IUPAC name of 1-[3-oxo-3-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propyl]-3-phenylquinolin-2-one (CID 59940840) is 1-[3-oxo-3-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propyl]-3-phenylquinolin-2-one.
What is the SMILES notation for 1-[3-oxo-3-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propyl]-3-phenylquinolin-2-one?
The canonical SMILES for 1-[3-oxo-3-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propyl]-3-phenylquinolin-2-one is O=C([C@@H]1CSCN1C(=O)CCn1c(=O)c(-c2ccccc2)cc2ccccc21)N1CCCC1.
What is the InChIKey of 1-[3-oxo-3-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propyl]-3-phenylquinolin-2-one?
The InChIKey is UNPZPYFGHXQUNM-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H27N3O3S/c30-24(29-18-33-17-23(29)26(32)27-13-6-7-14-27)12-15-28-22-11-5-4-10-20(22)16-21(25(28)31)19-8-2-1-3-9-19/h1-5,8-11,16,23H,6-7,12-15,17-18H2/t23-/m0/s1.
What are the key properties of 1-[3-oxo-3-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propyl]-3-phenylquinolin-2-one?
1-[3-oxo-3-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propyl]-3-phenylquinolin-2-one has a molecular weight of 461.59 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-oxo-3-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propyl]-3-phenylquinolin-2-one is sourced from PubChem (CID 59940840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).