N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[4-(2-oxo-1-phenylquinolin-4-yl)piperazin-1-yl]acetamide

C31H29N5O3S — CID 164626550

IUPACN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[4-(2-oxo-1-phenylquinolin-4-yl)piperazin-1-yl]acetamide
SMILESCOc1ccc(-c2csc(NC(=O)CN3CCN(c4cc(=O)n(-c5ccccc5)c5ccccc45)CC3)n2)cc1
InChIInChI=1S/C31H29N5O3S/c1-39-24-13-11-22(12-14-24)26-21-40-31(32-26)33-29(37)20-34-15-17-35(18-16-34)28-19-30(38)36(23-7-3-2-4-8-23)27-10-6-5-9-25(27)28/h2-14,19,21H,15-18,20H2,1H3,(H,32,33,37)
InChIKeyRBZMBPKRVMMOMV-UHFFFAOYSA-N
MW551.67 g/mol
LogP4.88
Rot. Bonds7

About N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[4-(2-oxo-1-phenylquinolin-4-yl)piperazin-1-yl]acetamide

N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[4-(2-oxo-1-phenylquinolin-4-yl)piperazin-1-yl]acetamide (PubChem CID 164626550) has the molecular formula C31H29N5O3S and a molecular weight of 551.67 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[4-(2-oxo-1-phenylquinolin-4-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[4-(2-oxo-1-phenylquinolin-4-yl)piperazin-1-yl]acetamide
PubChem CID164626550
Molecular FormulaC31H29N5O3S
Molecular Weight551.67 g/mol
Exact Mass551.20
IUPAC NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[4-(2-oxo-1-phenylquinolin-4-yl)piperazin-1-yl]acetamide
SMILESCOc1ccc(-c2csc(NC(=O)CN3CCN(c4cc(=O)n(-c5ccccc5)c5ccccc45)CC3)n2)cc1
InChIInChI=1S/C31H29N5O3S/c1-39-24-13-11-22(12-14-24)26-21-40-31(32-26)33-29(37)20-34-15-17-35(18-16-34)28-19-30(38)36(23-7-3-2-4-8-23)27-10-6-5-9-25(27)28/h2-14,19,21H,15-18,20H2,1H3,(H,32,33,37)
InChIKeyRBZMBPKRVMMOMV-UHFFFAOYSA-N
XLogP4.88
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.67
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[4-(2-oxo-1-phenylquinolin-4-yl)piperazin-1-yl]acetamide 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 N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[4-(2-oxo-1-phenylquinolin-4-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[4-(2-oxo-1-phenylquinolin-4-yl)piperazin-1-yl]acetamide (CID 164626550) is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[4-(2-oxo-1-phenylquinolin-4-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[4-(2-oxo-1-phenylquinolin-4-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[4-(2-oxo-1-phenylquinolin-4-yl)piperazin-1-yl]acetamide is COc1ccc(-c2csc(NC(=O)CN3CCN(c4cc(=O)n(-c5ccccc5)c5ccccc45)CC3)n2)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[4-(2-oxo-1-phenylquinolin-4-yl)piperazin-1-yl]acetamide?
The InChIKey is RBZMBPKRVMMOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N5O3S/c1-39-24-13-11-22(12-14-24)26-21-40-31(32-26)33-29(37)20-34-15-17-35(18-16-34)28-19-30(38)36(23-7-3-2-4-8-23)27-10-6-5-9-25(27)28/h2-14,19,21H,15-18,20H2,1H3,(H,32,33,37).
What are the key properties of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[4-(2-oxo-1-phenylquinolin-4-yl)piperazin-1-yl]acetamide?
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[4-(2-oxo-1-phenylquinolin-4-yl)piperazin-1-yl]acetamide has a molecular weight of 551.67 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[4-(2-oxo-1-phenylquinolin-4-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 164626550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).