4-bromo-6-[(4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]-1-methylquinolin-2-one

C20H14BrClN2OS — CID 118324008

IUPAC4-bromo-6-[(4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]-1-methylquinolin-2-one
SMILESCn1c(=O)cc(Br)c2cc(C(c3ccc(Cl)cc3)c3nccs3)ccc21
InChIInChI=1S/C20H14BrClN2OS/c1-24-17-7-4-13(10-15(17)16(21)11-18(24)25)19(20-23-8-9-26-20)12-2-5-14(22)6-3-12/h2-11,19H,1H3
InChIKeyRSCWRCXMYNSWHM-UHFFFAOYSA-N
MW445.77 g/mol
LogP5.59
Rot. Bonds3

About 4-bromo-6-[(4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]-1-methylquinolin-2-one

4-bromo-6-[(4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]-1-methylquinolin-2-one (PubChem CID 118324008) has the molecular formula C20H14BrClN2OS and a molecular weight of 445.77 g/mol. Its IUPAC name is 4-bromo-6-[(4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]-1-methylquinolin-2-one.

Molecular Properties

Compound Name4-bromo-6-[(4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]-1-methylquinolin-2-one
PubChem CID118324008
Molecular FormulaC20H14BrClN2OS
Molecular Weight445.77 g/mol
Exact Mass443.97
IUPAC Name4-bromo-6-[(4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]-1-methylquinolin-2-one
SMILESCn1c(=O)cc(Br)c2cc(C(c3ccc(Cl)cc3)c3nccs3)ccc21
InChIInChI=1S/C20H14BrClN2OS/c1-24-17-7-4-13(10-15(17)16(21)11-18(24)25)19(20-23-8-9-26-20)12-2-5-14(22)6-3-12/h2-11,19H,1H3
InChIKeyRSCWRCXMYNSWHM-UHFFFAOYSA-N
XLogP5.59
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.77
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-bromo-6-[(4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]-1-methylquinolin-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 4-bromo-6-[(4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]-1-methylquinolin-2-one?
The IUPAC name of 4-bromo-6-[(4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]-1-methylquinolin-2-one (CID 118324008) is 4-bromo-6-[(4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]-1-methylquinolin-2-one.
What is the SMILES notation for 4-bromo-6-[(4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]-1-methylquinolin-2-one?
The canonical SMILES for 4-bromo-6-[(4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]-1-methylquinolin-2-one is Cn1c(=O)cc(Br)c2cc(C(c3ccc(Cl)cc3)c3nccs3)ccc21.
What is the InChIKey of 4-bromo-6-[(4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]-1-methylquinolin-2-one?
The InChIKey is RSCWRCXMYNSWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrClN2OS/c1-24-17-7-4-13(10-15(17)16(21)11-18(24)25)19(20-23-8-9-26-20)12-2-5-14(22)6-3-12/h2-11,19H,1H3.
What are the key properties of 4-bromo-6-[(4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]-1-methylquinolin-2-one?
4-bromo-6-[(4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]-1-methylquinolin-2-one has a molecular weight of 445.77 g/mol, XLogP of 5.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-[(4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]-1-methylquinolin-2-one is sourced from PubChem (CID 118324008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).