5,7-dichloro-3-methyl-3-[4-(methylamino)phenyl]-1H-quinoline-2,4-dione

C17H14Cl2N2O2 — CID 11681803

IUPAC5,7-dichloro-3-methyl-3-[4-(methylamino)phenyl]-1H-quinoline-2,4-dione
SMILESCNc1ccc(C2(C)C(=O)Nc3cc(Cl)cc(Cl)c3C2=O)cc1
InChIInChI=1S/C17H14Cl2N2O2/c1-17(9-3-5-11(20-2)6-4-9)15(22)14-12(19)7-10(18)8-13(14)21-16(17)23/h3-8,20H,1-2H3,(H,21,23)
InChIKeyUJVGCRMWOCTARW-UHFFFAOYSA-N
MW349.22 g/mol
LogP4.13
Rot. Bonds2

About 5,7-dichloro-3-methyl-3-[4-(methylamino)phenyl]-1H-quinoline-2,4-dione

5,7-dichloro-3-methyl-3-[4-(methylamino)phenyl]-1H-quinoline-2,4-dione (PubChem CID 11681803) has the molecular formula C17H14Cl2N2O2 and a molecular weight of 349.22 g/mol. Its IUPAC name is 5,7-dichloro-3-methyl-3-[4-(methylamino)phenyl]-1H-quinoline-2,4-dione.

Molecular Properties

Compound Name5,7-dichloro-3-methyl-3-[4-(methylamino)phenyl]-1H-quinoline-2,4-dione
PubChem CID11681803
Molecular FormulaC17H14Cl2N2O2
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Name5,7-dichloro-3-methyl-3-[4-(methylamino)phenyl]-1H-quinoline-2,4-dione
SMILESCNc1ccc(C2(C)C(=O)Nc3cc(Cl)cc(Cl)c3C2=O)cc1
InChIInChI=1S/C17H14Cl2N2O2/c1-17(9-3-5-11(20-2)6-4-9)15(22)14-12(19)7-10(18)8-13(14)21-16(17)23/h3-8,20H,1-2H3,(H,21,23)
InChIKeyUJVGCRMWOCTARW-UHFFFAOYSA-N
XLogP4.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-3-methyl-3-[4-(methylamino)phenyl]-1H-quinoline-2,4-dione?
The IUPAC name of 5,7-dichloro-3-methyl-3-[4-(methylamino)phenyl]-1H-quinoline-2,4-dione (CID 11681803) is 5,7-dichloro-3-methyl-3-[4-(methylamino)phenyl]-1H-quinoline-2,4-dione.
What is the SMILES notation for 5,7-dichloro-3-methyl-3-[4-(methylamino)phenyl]-1H-quinoline-2,4-dione?
The canonical SMILES for 5,7-dichloro-3-methyl-3-[4-(methylamino)phenyl]-1H-quinoline-2,4-dione is CNc1ccc(C2(C)C(=O)Nc3cc(Cl)cc(Cl)c3C2=O)cc1.
What is the InChIKey of 5,7-dichloro-3-methyl-3-[4-(methylamino)phenyl]-1H-quinoline-2,4-dione?
The InChIKey is UJVGCRMWOCTARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O2/c1-17(9-3-5-11(20-2)6-4-9)15(22)14-12(19)7-10(18)8-13(14)21-16(17)23/h3-8,20H,1-2H3,(H,21,23).
What are the key properties of 5,7-dichloro-3-methyl-3-[4-(methylamino)phenyl]-1H-quinoline-2,4-dione?
5,7-dichloro-3-methyl-3-[4-(methylamino)phenyl]-1H-quinoline-2,4-dione has a molecular weight of 349.22 g/mol, XLogP of 4.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-3-methyl-3-[4-(methylamino)phenyl]-1H-quinoline-2,4-dione is sourced from PubChem (CID 11681803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).