5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-methoxyquinolin-2-one

C22H14Cl3NO2 — CID 22647905

IUPAC5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-methoxyquinolin-2-one
SMILESCOc1cc(-c2ccccc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1
InChIInChI=1S/C22H14Cl3NO2/c1-28-13-11-16(14-5-2-3-6-17(14)23)15-9-10-21(27)26(20(15)12-13)22-18(24)7-4-8-19(22)25/h2-12H,1H3
InChIKeyRWYPMMZVWYPUHM-UHFFFAOYSA-N
MW430.72 g/mol
LogP6.63
Rot. Bonds3

About 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-methoxyquinolin-2-one

5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-methoxyquinolin-2-one (PubChem CID 22647905) has the molecular formula C22H14Cl3NO2 and a molecular weight of 430.72 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-methoxyquinolin-2-one.

Molecular Properties

Compound Name5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-methoxyquinolin-2-one
PubChem CID22647905
Molecular FormulaC22H14Cl3NO2
Molecular Weight430.72 g/mol
Exact Mass429.01
IUPAC Name5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-methoxyquinolin-2-one
SMILESCOc1cc(-c2ccccc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1
InChIInChI=1S/C22H14Cl3NO2/c1-28-13-11-16(14-5-2-3-6-17(14)23)15-9-10-21(27)26(20(15)12-13)22-18(24)7-4-8-19(22)25/h2-12H,1H3
InChIKeyRWYPMMZVWYPUHM-UHFFFAOYSA-N
XLogP6.63
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.72
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-methoxyquinolin-2-one?
The IUPAC name of 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-methoxyquinolin-2-one (CID 22647905) is 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-methoxyquinolin-2-one.
What is the SMILES notation for 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-methoxyquinolin-2-one?
The canonical SMILES for 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-methoxyquinolin-2-one is COc1cc(-c2ccccc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1.
What is the InChIKey of 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-methoxyquinolin-2-one?
The InChIKey is RWYPMMZVWYPUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl3NO2/c1-28-13-11-16(14-5-2-3-6-17(14)23)15-9-10-21(27)26(20(15)12-13)22-18(24)7-4-8-19(22)25/h2-12H,1H3.
What are the key properties of 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-methoxyquinolin-2-one?
5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-methoxyquinolin-2-one has a molecular weight of 430.72 g/mol, XLogP of 6.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-methoxyquinolin-2-one is sourced from PubChem (CID 22647905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).