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

C18H16Cl2N2O2 — CID 11501432

IUPAC5,7-dichloro-3-[4-(dimethylamino)phenyl]-3-methyl-1H-quinoline-2,4-dione
SMILESCN(C)c1ccc(C2(C)C(=O)Nc3cc(Cl)cc(Cl)c3C2=O)cc1
InChIInChI=1S/C18H16Cl2N2O2/c1-18(10-4-6-12(7-5-10)22(2)3)16(23)15-13(20)8-11(19)9-14(15)21-17(18)24/h4-9H,1-3H3,(H,21,24)
InChIKeyJOPUNRLKCLQDOT-UHFFFAOYSA-N
MW363.24 g/mol
LogP4.15
Rot. Bonds2

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

5,7-dichloro-3-[4-(dimethylamino)phenyl]-3-methyl-1H-quinoline-2,4-dione (PubChem CID 11501432) has the molecular formula C18H16Cl2N2O2 and a molecular weight of 363.24 g/mol. Its IUPAC name is 5,7-dichloro-3-[4-(dimethylamino)phenyl]-3-methyl-1H-quinoline-2,4-dione.

Molecular Properties

Compound Name5,7-dichloro-3-[4-(dimethylamino)phenyl]-3-methyl-1H-quinoline-2,4-dione
PubChem CID11501432
Molecular FormulaC18H16Cl2N2O2
Molecular Weight363.24 g/mol
Exact Mass362.06
IUPAC Name5,7-dichloro-3-[4-(dimethylamino)phenyl]-3-methyl-1H-quinoline-2,4-dione
SMILESCN(C)c1ccc(C2(C)C(=O)Nc3cc(Cl)cc(Cl)c3C2=O)cc1
InChIInChI=1S/C18H16Cl2N2O2/c1-18(10-4-6-12(7-5-10)22(2)3)16(23)15-13(20)8-11(19)9-14(15)21-17(18)24/h4-9H,1-3H3,(H,21,24)
InChIKeyJOPUNRLKCLQDOT-UHFFFAOYSA-N
XLogP4.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 54.15
H-Bond Donors ≤ 51
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-[4-(dimethylamino)phenyl]-3-methyl-1H-quinoline-2,4-dione?
The IUPAC name of 5,7-dichloro-3-[4-(dimethylamino)phenyl]-3-methyl-1H-quinoline-2,4-dione (CID 11501432) is 5,7-dichloro-3-[4-(dimethylamino)phenyl]-3-methyl-1H-quinoline-2,4-dione.
What is the SMILES notation for 5,7-dichloro-3-[4-(dimethylamino)phenyl]-3-methyl-1H-quinoline-2,4-dione?
The canonical SMILES for 5,7-dichloro-3-[4-(dimethylamino)phenyl]-3-methyl-1H-quinoline-2,4-dione is CN(C)c1ccc(C2(C)C(=O)Nc3cc(Cl)cc(Cl)c3C2=O)cc1.
What is the InChIKey of 5,7-dichloro-3-[4-(dimethylamino)phenyl]-3-methyl-1H-quinoline-2,4-dione?
The InChIKey is JOPUNRLKCLQDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O2/c1-18(10-4-6-12(7-5-10)22(2)3)16(23)15-13(20)8-11(19)9-14(15)21-17(18)24/h4-9H,1-3H3,(H,21,24).
What are the key properties of 5,7-dichloro-3-[4-(dimethylamino)phenyl]-3-methyl-1H-quinoline-2,4-dione?
5,7-dichloro-3-[4-(dimethylamino)phenyl]-3-methyl-1H-quinoline-2,4-dione has a molecular weight of 363.24 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-3-[4-(dimethylamino)phenyl]-3-methyl-1H-quinoline-2,4-dione is sourced from PubChem (CID 11501432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).