3-[(2-bromo-5-methoxyphenyl)methoxy]-1-methylquinolin-2-one

C18H16BrNO3 — CID 11406181

IUPAC3-[(2-bromo-5-methoxyphenyl)methoxy]-1-methylquinolin-2-one
SMILESCOc1ccc(Br)c(COc2cc3ccccc3n(C)c2=O)c1
InChIInChI=1S/C18H16BrNO3/c1-20-16-6-4-3-5-12(16)10-17(18(20)21)23-11-13-9-14(22-2)7-8-15(13)19/h3-10H,11H2,1-2H3
InChIKeyRDVHOYWEYNQEGG-UHFFFAOYSA-N
MW374.23 g/mol
LogP3.89
Rot. Bonds4

About 3-[(2-bromo-5-methoxyphenyl)methoxy]-1-methylquinolin-2-one

3-[(2-bromo-5-methoxyphenyl)methoxy]-1-methylquinolin-2-one (PubChem CID 11406181) has the molecular formula C18H16BrNO3 and a molecular weight of 374.23 g/mol. Its IUPAC name is 3-[(2-bromo-5-methoxyphenyl)methoxy]-1-methylquinolin-2-one.

Molecular Properties

Compound Name3-[(2-bromo-5-methoxyphenyl)methoxy]-1-methylquinolin-2-one
PubChem CID11406181
Molecular FormulaC18H16BrNO3
Molecular Weight374.23 g/mol
Exact Mass373.03
IUPAC Name3-[(2-bromo-5-methoxyphenyl)methoxy]-1-methylquinolin-2-one
SMILESCOc1ccc(Br)c(COc2cc3ccccc3n(C)c2=O)c1
InChIInChI=1S/C18H16BrNO3/c1-20-16-6-4-3-5-12(16)10-17(18(20)21)23-11-13-9-14(22-2)7-8-15(13)19/h3-10H,11H2,1-2H3
InChIKeyRDVHOYWEYNQEGG-UHFFFAOYSA-N
XLogP3.89
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(2-bromo-5-methoxyphenyl)methoxy]-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

Related Compounds

3-[(4-methoxyphenyl)methyl]-1-methylquinolin-2-one
CID 166443268
8-[(2-bromo-5-methoxyphenyl)methoxy]quinoline
CID 25270942
1-[(2-bromo-5-methoxyphenyl)methoxy]-5-methoxynaphthalene
CID 22728210
(1S)-1-[2-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]ethanol
CID 65323216
1-bromo-2-[(2,3-dichlorophenoxy)methyl]-4-methoxybenzene
CID 65326523
3-[(2-bromo-5-methoxyphenyl)methoxy]thiophene-2-carboxylic acid
CID 65322037
3-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1-methylquinolin-2-one
CID 101403240
1-bromo-2-[(2,6-dimethylphenoxy)methyl]-4-methoxybenzene
CID 65326131
1-bromo-2-[(5-fluoro-2-methylphenoxy)methyl]-4-methoxybenzene
CID 102983162
[2-[(2-bromophenyl)methoxy]-5-methoxyphenyl]methanol
CID 43267977
4-[(2-bromo-5-methoxyphenyl)methoxy]-3-fluoroaniline
CID 65322224
1-bromo-2-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]-4-methoxybenzene
CID 65323171

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-5-methoxyphenyl)methoxy]-1-methylquinolin-2-one?
The IUPAC name of 3-[(2-bromo-5-methoxyphenyl)methoxy]-1-methylquinolin-2-one (CID 11406181) is 3-[(2-bromo-5-methoxyphenyl)methoxy]-1-methylquinolin-2-one.
What is the SMILES notation for 3-[(2-bromo-5-methoxyphenyl)methoxy]-1-methylquinolin-2-one?
The canonical SMILES for 3-[(2-bromo-5-methoxyphenyl)methoxy]-1-methylquinolin-2-one is COc1ccc(Br)c(COc2cc3ccccc3n(C)c2=O)c1.
What is the InChIKey of 3-[(2-bromo-5-methoxyphenyl)methoxy]-1-methylquinolin-2-one?
The InChIKey is RDVHOYWEYNQEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO3/c1-20-16-6-4-3-5-12(16)10-17(18(20)21)23-11-13-9-14(22-2)7-8-15(13)19/h3-10H,11H2,1-2H3.
What are the key properties of 3-[(2-bromo-5-methoxyphenyl)methoxy]-1-methylquinolin-2-one?
3-[(2-bromo-5-methoxyphenyl)methoxy]-1-methylquinolin-2-one has a molecular weight of 374.23 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-5-methoxyphenyl)methoxy]-1-methylquinolin-2-one is sourced from PubChem (CID 11406181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).