5,7-dichloro-3-methyl-3-(3-phenylmethoxyphenyl)-1H-quinoline-2,4-dione

C23H17Cl2NO3 — CID 11575479

IUPAC5,7-dichloro-3-methyl-3-(3-phenylmethoxyphenyl)-1H-quinoline-2,4-dione
SMILESCC1(c2cccc(OCc3ccccc3)c2)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O
InChIInChI=1S/C23H17Cl2NO3/c1-23(21(27)20-18(25)11-16(24)12-19(20)26-22(23)28)15-8-5-9-17(10-15)29-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3,(H,26,28)
InChIKeyQASCBWTWFDWZJI-UHFFFAOYSA-N
MW426.30 g/mol
LogP5.67
Rot. Bonds4

About 5,7-dichloro-3-methyl-3-(3-phenylmethoxyphenyl)-1H-quinoline-2,4-dione

5,7-dichloro-3-methyl-3-(3-phenylmethoxyphenyl)-1H-quinoline-2,4-dione (PubChem CID 11575479) has the molecular formula C23H17Cl2NO3 and a molecular weight of 426.30 g/mol. Its IUPAC name is 5,7-dichloro-3-methyl-3-(3-phenylmethoxyphenyl)-1H-quinoline-2,4-dione.

Molecular Properties

Compound Name5,7-dichloro-3-methyl-3-(3-phenylmethoxyphenyl)-1H-quinoline-2,4-dione
PubChem CID11575479
Molecular FormulaC23H17Cl2NO3
Molecular Weight426.30 g/mol
Exact Mass425.06
IUPAC Name5,7-dichloro-3-methyl-3-(3-phenylmethoxyphenyl)-1H-quinoline-2,4-dione
SMILESCC1(c2cccc(OCc3ccccc3)c2)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O
InChIInChI=1S/C23H17Cl2NO3/c1-23(21(27)20-18(25)11-16(24)12-19(20)26-22(23)28)15-8-5-9-17(10-15)29-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3,(H,26,28)
InChIKeyQASCBWTWFDWZJI-UHFFFAOYSA-N
XLogP5.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.30
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 5,7-dichloro-3-methyl-3-(3-phenylmethoxyphenyl)-1H-quinoline-2,4-dione 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 5,7-dichloro-3-methyl-3-(3-phenylmethoxyphenyl)-1H-quinoline-2,4-dione?
The IUPAC name of 5,7-dichloro-3-methyl-3-(3-phenylmethoxyphenyl)-1H-quinoline-2,4-dione (CID 11575479) is 5,7-dichloro-3-methyl-3-(3-phenylmethoxyphenyl)-1H-quinoline-2,4-dione.
What is the SMILES notation for 5,7-dichloro-3-methyl-3-(3-phenylmethoxyphenyl)-1H-quinoline-2,4-dione?
The canonical SMILES for 5,7-dichloro-3-methyl-3-(3-phenylmethoxyphenyl)-1H-quinoline-2,4-dione is CC1(c2cccc(OCc3ccccc3)c2)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O.
What is the InChIKey of 5,7-dichloro-3-methyl-3-(3-phenylmethoxyphenyl)-1H-quinoline-2,4-dione?
The InChIKey is QASCBWTWFDWZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2NO3/c1-23(21(27)20-18(25)11-16(24)12-19(20)26-22(23)28)15-8-5-9-17(10-15)29-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3,(H,26,28).
What are the key properties of 5,7-dichloro-3-methyl-3-(3-phenylmethoxyphenyl)-1H-quinoline-2,4-dione?
5,7-dichloro-3-methyl-3-(3-phenylmethoxyphenyl)-1H-quinoline-2,4-dione has a molecular weight of 426.30 g/mol, XLogP of 5.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-3-methyl-3-(3-phenylmethoxyphenyl)-1H-quinoline-2,4-dione is sourced from PubChem (CID 11575479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).