7-chloro-6-(2,4-dichloroanilino)quinoline-5,8-dione

C15H7Cl3N2O2 — CID 71346097

IUPAC7-chloro-6-(2,4-dichloroanilino)quinoline-5,8-dione
SMILESO=C1C(Nc2ccc(Cl)cc2Cl)=C(Cl)C(=O)c2ncccc21
InChIInChI=1S/C15H7Cl3N2O2/c16-7-3-4-10(9(17)6-7)20-13-11(18)15(22)12-8(14(13)21)2-1-5-19-12/h1-6,20H
InChIKeyNEBRQCRATDJOEE-UHFFFAOYSA-N
MW353.59 g/mol
LogP4.33
Rot. Bonds2

About 7-chloro-6-(2,4-dichloroanilino)quinoline-5,8-dione

7-chloro-6-(2,4-dichloroanilino)quinoline-5,8-dione (PubChem CID 71346097) has the molecular formula C15H7Cl3N2O2 and a molecular weight of 353.59 g/mol. Its IUPAC name is 7-chloro-6-(2,4-dichloroanilino)quinoline-5,8-dione.

Molecular Properties

Compound Name7-chloro-6-(2,4-dichloroanilino)quinoline-5,8-dione
PubChem CID71346097
Molecular FormulaC15H7Cl3N2O2
Molecular Weight353.59 g/mol
Exact Mass351.96
IUPAC Name7-chloro-6-(2,4-dichloroanilino)quinoline-5,8-dione
SMILESO=C1C(Nc2ccc(Cl)cc2Cl)=C(Cl)C(=O)c2ncccc21
InChIInChI=1S/C15H7Cl3N2O2/c16-7-3-4-10(9(17)6-7)20-13-11(18)15(22)12-8(14(13)21)2-1-5-19-12/h1-6,20H
InChIKeyNEBRQCRATDJOEE-UHFFFAOYSA-N
XLogP4.33
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.59
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-(2,4-dichloroanilino)quinoline-5,8-dione?
The IUPAC name of 7-chloro-6-(2,4-dichloroanilino)quinoline-5,8-dione (CID 71346097) is 7-chloro-6-(2,4-dichloroanilino)quinoline-5,8-dione.
What is the SMILES notation for 7-chloro-6-(2,4-dichloroanilino)quinoline-5,8-dione?
The canonical SMILES for 7-chloro-6-(2,4-dichloroanilino)quinoline-5,8-dione is O=C1C(Nc2ccc(Cl)cc2Cl)=C(Cl)C(=O)c2ncccc21.
What is the InChIKey of 7-chloro-6-(2,4-dichloroanilino)quinoline-5,8-dione?
The InChIKey is NEBRQCRATDJOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7Cl3N2O2/c16-7-3-4-10(9(17)6-7)20-13-11(18)15(22)12-8(14(13)21)2-1-5-19-12/h1-6,20H.
What are the key properties of 7-chloro-6-(2,4-dichloroanilino)quinoline-5,8-dione?
7-chloro-6-(2,4-dichloroanilino)quinoline-5,8-dione has a molecular weight of 353.59 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-(2,4-dichloroanilino)quinoline-5,8-dione is sourced from PubChem (CID 71346097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).