6-bromo-4-[(1-methylpiperidin-4-yl)methoxy]-3-thiophen-2-yl-1H-quinolin-2-one

C20H21BrN2O2S — CID 66848807

IUPAC6-bromo-4-[(1-methylpiperidin-4-yl)methoxy]-3-thiophen-2-yl-1H-quinolin-2-one
SMILESCN1CCC(COc2c(-c3cccs3)c(=O)[nH]c3ccc(Br)cc23)CC1
InChIInChI=1S/C20H21BrN2O2S/c1-23-8-6-13(7-9-23)12-25-19-15-11-14(21)4-5-16(15)22-20(24)18(19)17-3-2-10-26-17/h2-5,10-11,13H,6-9,12H2,1H3,(H,22,24)
InChIKeyUVFWDSHZWLMMIC-UHFFFAOYSA-N
MW433.37 g/mol
LogP4.74
Rot. Bonds4

About 6-bromo-4-[(1-methylpiperidin-4-yl)methoxy]-3-thiophen-2-yl-1H-quinolin-2-one

6-bromo-4-[(1-methylpiperidin-4-yl)methoxy]-3-thiophen-2-yl-1H-quinolin-2-one (PubChem CID 66848807) has the molecular formula C20H21BrN2O2S and a molecular weight of 433.37 g/mol. Its IUPAC name is 6-bromo-4-[(1-methylpiperidin-4-yl)methoxy]-3-thiophen-2-yl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-bromo-4-[(1-methylpiperidin-4-yl)methoxy]-3-thiophen-2-yl-1H-quinolin-2-one
PubChem CID66848807
Molecular FormulaC20H21BrN2O2S
Molecular Weight433.37 g/mol
Exact Mass432.05
IUPAC Name6-bromo-4-[(1-methylpiperidin-4-yl)methoxy]-3-thiophen-2-yl-1H-quinolin-2-one
SMILESCN1CCC(COc2c(-c3cccs3)c(=O)[nH]c3ccc(Br)cc23)CC1
InChIInChI=1S/C20H21BrN2O2S/c1-23-8-6-13(7-9-23)12-25-19-15-11-14(21)4-5-16(15)22-20(24)18(19)17-3-2-10-26-17/h2-5,10-11,13H,6-9,12H2,1H3,(H,22,24)
InChIKeyUVFWDSHZWLMMIC-UHFFFAOYSA-N
XLogP4.74
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.37
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-bromo-4-[(1-methylpiperidin-4-yl)methoxy]-3-thiophen-2-yl-1H-quinolin-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 6-bromo-4-[(1-methylpiperidin-4-yl)methoxy]-3-thiophen-2-yl-1H-quinolin-2-one?
The IUPAC name of 6-bromo-4-[(1-methylpiperidin-4-yl)methoxy]-3-thiophen-2-yl-1H-quinolin-2-one (CID 66848807) is 6-bromo-4-[(1-methylpiperidin-4-yl)methoxy]-3-thiophen-2-yl-1H-quinolin-2-one.
What is the SMILES notation for 6-bromo-4-[(1-methylpiperidin-4-yl)methoxy]-3-thiophen-2-yl-1H-quinolin-2-one?
The canonical SMILES for 6-bromo-4-[(1-methylpiperidin-4-yl)methoxy]-3-thiophen-2-yl-1H-quinolin-2-one is CN1CCC(COc2c(-c3cccs3)c(=O)[nH]c3ccc(Br)cc23)CC1.
What is the InChIKey of 6-bromo-4-[(1-methylpiperidin-4-yl)methoxy]-3-thiophen-2-yl-1H-quinolin-2-one?
The InChIKey is UVFWDSHZWLMMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O2S/c1-23-8-6-13(7-9-23)12-25-19-15-11-14(21)4-5-16(15)22-20(24)18(19)17-3-2-10-26-17/h2-5,10-11,13H,6-9,12H2,1H3,(H,22,24).
What are the key properties of 6-bromo-4-[(1-methylpiperidin-4-yl)methoxy]-3-thiophen-2-yl-1H-quinolin-2-one?
6-bromo-4-[(1-methylpiperidin-4-yl)methoxy]-3-thiophen-2-yl-1H-quinolin-2-one has a molecular weight of 433.37 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-[(1-methylpiperidin-4-yl)methoxy]-3-thiophen-2-yl-1H-quinolin-2-one is sourced from PubChem (CID 66848807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).