6-chloro-1,3,3-tris[(4-chlorophenyl)methyl]-4-hydroxy-4H-quinolin-2-one

C30H23Cl4NO2 — CID 90677376

IUPAC6-chloro-1,3,3-tris[(4-chlorophenyl)methyl]-4-hydroxy-4H-quinolin-2-one
SMILESO=C1N(Cc2ccc(Cl)cc2)c2ccc(Cl)cc2C(O)C1(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C30H23Cl4NO2/c31-22-7-1-19(2-8-22)16-30(17-20-3-9-23(32)10-4-20)28(36)26-15-25(34)13-14-27(26)35(29(30)37)18-21-5-11-24(33)12-6-21/h1-15,28,36H,16-18H2
InChIKeySMAJUVQKKLAOQU-UHFFFAOYSA-N
MW571.33 g/mol
LogP8.35
Rot. Bonds6

About 6-chloro-1,3,3-tris[(4-chlorophenyl)methyl]-4-hydroxy-4H-quinolin-2-one

6-chloro-1,3,3-tris[(4-chlorophenyl)methyl]-4-hydroxy-4H-quinolin-2-one (PubChem CID 90677376) has the molecular formula C30H23Cl4NO2 and a molecular weight of 571.33 g/mol. Its IUPAC name is 6-chloro-1,3,3-tris[(4-chlorophenyl)methyl]-4-hydroxy-4H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-1,3,3-tris[(4-chlorophenyl)methyl]-4-hydroxy-4H-quinolin-2-one
PubChem CID90677376
Molecular FormulaC30H23Cl4NO2
Molecular Weight571.33 g/mol
Exact Mass569.05
IUPAC Name6-chloro-1,3,3-tris[(4-chlorophenyl)methyl]-4-hydroxy-4H-quinolin-2-one
SMILESO=C1N(Cc2ccc(Cl)cc2)c2ccc(Cl)cc2C(O)C1(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C30H23Cl4NO2/c31-22-7-1-19(2-8-22)16-30(17-20-3-9-23(32)10-4-20)28(36)26-15-25(34)13-14-27(26)35(29(30)37)18-21-5-11-24(33)12-6-21/h1-15,28,36H,16-18H2
InChIKeySMAJUVQKKLAOQU-UHFFFAOYSA-N
XLogP8.35
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.33
LogP ≤ 58.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-chloro-1,3,3-tris[(4-chlorophenyl)methyl]-4-hydroxy-4H-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-chloro-1,3,3-tris[(4-chlorophenyl)methyl]-4-hydroxy-4H-quinolin-2-one?
The IUPAC name of 6-chloro-1,3,3-tris[(4-chlorophenyl)methyl]-4-hydroxy-4H-quinolin-2-one (CID 90677376) is 6-chloro-1,3,3-tris[(4-chlorophenyl)methyl]-4-hydroxy-4H-quinolin-2-one.
What is the SMILES notation for 6-chloro-1,3,3-tris[(4-chlorophenyl)methyl]-4-hydroxy-4H-quinolin-2-one?
The canonical SMILES for 6-chloro-1,3,3-tris[(4-chlorophenyl)methyl]-4-hydroxy-4H-quinolin-2-one is O=C1N(Cc2ccc(Cl)cc2)c2ccc(Cl)cc2C(O)C1(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1.
What is the InChIKey of 6-chloro-1,3,3-tris[(4-chlorophenyl)methyl]-4-hydroxy-4H-quinolin-2-one?
The InChIKey is SMAJUVQKKLAOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23Cl4NO2/c31-22-7-1-19(2-8-22)16-30(17-20-3-9-23(32)10-4-20)28(36)26-15-25(34)13-14-27(26)35(29(30)37)18-21-5-11-24(33)12-6-21/h1-15,28,36H,16-18H2.
What are the key properties of 6-chloro-1,3,3-tris[(4-chlorophenyl)methyl]-4-hydroxy-4H-quinolin-2-one?
6-chloro-1,3,3-tris[(4-chlorophenyl)methyl]-4-hydroxy-4H-quinolin-2-one has a molecular weight of 571.33 g/mol, XLogP of 8.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,3,3-tris[(4-chlorophenyl)methyl]-4-hydroxy-4H-quinolin-2-one is sourced from PubChem (CID 90677376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).