6-[bromo-(3-ethylthiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one

C17H18BrNOS — CID 79975047

IUPAC6-[bromo-(3-ethylthiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCCc1ccsc1C(Br)c1ccc2c(c1)CCC(=O)N2C
InChIInChI=1S/C17H18BrNOS/c1-3-11-8-9-21-17(11)16(18)13-4-6-14-12(10-13)5-7-15(20)19(14)2/h4,6,8-10,16H,3,5,7H2,1-2H3
InChIKeyQYCWDJGRNAPSBI-UHFFFAOYSA-N
MW364.31 g/mol
LogP4.70
Rot. Bonds3

About 6-[bromo-(3-ethylthiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one

6-[bromo-(3-ethylthiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 79975047) has the molecular formula C17H18BrNOS and a molecular weight of 364.31 g/mol. Its IUPAC name is 6-[bromo-(3-ethylthiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-[bromo-(3-ethylthiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID79975047
Molecular FormulaC17H18BrNOS
Molecular Weight364.31 g/mol
Exact Mass363.03
IUPAC Name6-[bromo-(3-ethylthiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCCc1ccsc1C(Br)c1ccc2c(c1)CCC(=O)N2C
InChIInChI=1S/C17H18BrNOS/c1-3-11-8-9-21-17(11)16(18)13-4-6-14-12(10-13)5-7-15(20)19(14)2/h4,6,8-10,16H,3,5,7H2,1-2H3
InChIKeyQYCWDJGRNAPSBI-UHFFFAOYSA-N
XLogP4.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.31
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 6-[bromo-(3-ethylthiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-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

Related Compounds

6-[bromo-(3-bromothiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 63797858
6-[chloro-(3-chlorothiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 80641053
6-[(3-chlorothiophen-2-yl)-hydroxymethyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 80642258
2-[bromo-(3,4-dimethylphenyl)methyl]-3-ethylthiophene
CID 79975064
6-(1-hydroxypropan-2-yl)-1-methyl-3,4-dihydroquinolin-2-one
CID 117312785
6-[amino-(3-methoxythiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 81122117
6-(1-hydroxybutyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63106881
6-[bromo-(2-methylcyclopentyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 107182391
6-(1-bromo-3,4,4-trimethylpentyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63833517
6-(1-amino-2-chloroethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116937542
6-[(4-bromophenyl)-chloromethyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 63105040
6-(1,3-diaminopropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116932774

Frequently Asked Questions

What is the IUPAC name of 6-[bromo-(3-ethylthiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-[bromo-(3-ethylthiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one (CID 79975047) is 6-[bromo-(3-ethylthiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-[bromo-(3-ethylthiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-[bromo-(3-ethylthiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one is CCc1ccsc1C(Br)c1ccc2c(c1)CCC(=O)N2C.
What is the InChIKey of 6-[bromo-(3-ethylthiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is QYCWDJGRNAPSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNOS/c1-3-11-8-9-21-17(11)16(18)13-4-6-14-12(10-13)5-7-15(20)19(14)2/h4,6,8-10,16H,3,5,7H2,1-2H3.
What are the key properties of 6-[bromo-(3-ethylthiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one?
6-[bromo-(3-ethylthiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 364.31 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bromo-(3-ethylthiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 79975047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).