2-[(2,4-dichlorophenyl)methoxy]-1-hydroxyisoquinolin-3-one

C16H11Cl2NO3 — CID 170913910

IUPAC2-[(2,4-dichlorophenyl)methoxy]-1-hydroxyisoquinolin-3-one
SMILESO=c1cc2ccccc2c(O)n1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H11Cl2NO3/c17-12-6-5-11(14(18)8-12)9-22-19-15(20)7-10-3-1-2-4-13(10)16(19)21/h1-8,21H,9H2
InChIKeyHSINQANDUFRXOZ-UHFFFAOYSA-N
MW336.17 g/mol
LogP3.64
Rot. Bonds3

About 2-[(2,4-dichlorophenyl)methoxy]-1-hydroxyisoquinolin-3-one

2-[(2,4-dichlorophenyl)methoxy]-1-hydroxyisoquinolin-3-one (PubChem CID 170913910) has the molecular formula C16H11Cl2NO3 and a molecular weight of 336.17 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methoxy]-1-hydroxyisoquinolin-3-one.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methoxy]-1-hydroxyisoquinolin-3-one
PubChem CID170913910
Molecular FormulaC16H11Cl2NO3
Molecular Weight336.17 g/mol
Exact Mass335.01
IUPAC Name2-[(2,4-dichlorophenyl)methoxy]-1-hydroxyisoquinolin-3-one
SMILESO=c1cc2ccccc2c(O)n1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H11Cl2NO3/c17-12-6-5-11(14(18)8-12)9-22-19-15(20)7-10-3-1-2-4-13(10)16(19)21/h1-8,21H,9H2
InChIKeyHSINQANDUFRXOZ-UHFFFAOYSA-N
XLogP3.64
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.17
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2,4-dichlorophenyl)methoxy]-1-hydroxyisoquinolin-3-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

2-(4-chlorophenyl)-1-[(2,4-dichlorophenyl)methoxy]benzimidazole
CID 3809277
(2,4-dichlorophenyl)methyl 2-(9-oxoacridin-10-yl)acetate
CID 16587182
(2,4-dichlorophenyl)methyl N-(2-chlorobenzoyl)carbamate
CID 2798263
1-[(2,4-dichlorophenyl)methoxy]benzotriazole
CID 682205
3-amino-2-(2,4-dichlorophenyl)isoquinolin-1-one
CID 43341028
(2,4-dichlorophenyl)methyl 2-(4-methylquinolin-2-yl)sulfanylacetate
CID 7175283
N-[(2,4-dichlorophenyl)methoxy]formamide
CID 19046665
3-[(2,4-dichlorophenyl)methoxy]quinoline
CID 107388172
(2,4-dichlorophenyl)methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoate
CID 7533806
(4-chlorophenyl)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanone
CID 3914147
2,4-dichloro-1-[(2-fluorophenoxy)methyl]benzene
CID 60627817
2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one
CID 137085110

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methoxy]-1-hydroxyisoquinolin-3-one?
The IUPAC name of 2-[(2,4-dichlorophenyl)methoxy]-1-hydroxyisoquinolin-3-one (CID 170913910) is 2-[(2,4-dichlorophenyl)methoxy]-1-hydroxyisoquinolin-3-one.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methoxy]-1-hydroxyisoquinolin-3-one?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methoxy]-1-hydroxyisoquinolin-3-one is O=c1cc2ccccc2c(O)n1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methoxy]-1-hydroxyisoquinolin-3-one?
The InChIKey is HSINQANDUFRXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO3/c17-12-6-5-11(14(18)8-12)9-22-19-15(20)7-10-3-1-2-4-13(10)16(19)21/h1-8,21H,9H2.
What are the key properties of 2-[(2,4-dichlorophenyl)methoxy]-1-hydroxyisoquinolin-3-one?
2-[(2,4-dichlorophenyl)methoxy]-1-hydroxyisoquinolin-3-one has a molecular weight of 336.17 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methoxy]-1-hydroxyisoquinolin-3-one is sourced from PubChem (CID 170913910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).