N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide

C21H18BrN3O3S — CID 43055897

IUPACN-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
SMILESO=C(COc1ccc2c(c1)CCC(=O)N2)Nc1ncc(Cc2ccc(Br)cc2)s1
InChIInChI=1S/C21H18BrN3O3S/c22-15-4-1-13(2-5-15)9-17-11-23-21(29-17)25-20(27)12-28-16-6-7-18-14(10-16)3-8-19(26)24-18/h1-2,4-7,10-11H,3,8-9,12H2,(H,24,26)(H,23,25,27)
InChIKeyRMZNZFFPTPRUIU-UHFFFAOYSA-N
MW472.36 g/mol
LogP4.40
Rot. Bonds6

About N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide

N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide (PubChem CID 43055897) has the molecular formula C21H18BrN3O3S and a molecular weight of 472.36 g/mol. Its IUPAC name is N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
PubChem CID43055897
Molecular FormulaC21H18BrN3O3S
Molecular Weight472.36 g/mol
Exact Mass471.03
IUPAC NameN-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
SMILESO=C(COc1ccc2c(c1)CCC(=O)N2)Nc1ncc(Cc2ccc(Br)cc2)s1
InChIInChI=1S/C21H18BrN3O3S/c22-15-4-1-13(2-5-15)9-17-11-23-21(29-17)25-20(27)12-28-16-6-7-18-14(10-16)3-8-19(26)24-18/h1-2,4-7,10-11H,3,8-9,12H2,(H,24,26)(H,23,25,27)
InChIKeyRMZNZFFPTPRUIU-UHFFFAOYSA-N
XLogP4.40
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.36
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]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-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide?
The IUPAC name of N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide (CID 43055897) is N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide.
What is the SMILES notation for N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide?
The canonical SMILES for N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide is O=C(COc1ccc2c(c1)CCC(=O)N2)Nc1ncc(Cc2ccc(Br)cc2)s1.
What is the InChIKey of N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide?
The InChIKey is RMZNZFFPTPRUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrN3O3S/c22-15-4-1-13(2-5-15)9-17-11-23-21(29-17)25-20(27)12-28-16-6-7-18-14(10-16)3-8-19(26)24-18/h1-2,4-7,10-11H,3,8-9,12H2,(H,24,26)(H,23,25,27).
What are the key properties of N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide?
N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide has a molecular weight of 472.36 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide is sourced from PubChem (CID 43055897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).