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

C16H10BrCl2NO2 — CID 11560362

IUPAC3-(4-bromophenyl)-5,7-dichloro-3-methyl-1H-quinoline-2,4-dione
SMILESCC1(c2ccc(Br)cc2)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O
InChIInChI=1S/C16H10BrCl2NO2/c1-16(8-2-4-9(17)5-3-8)14(21)13-11(19)6-10(18)7-12(13)20-15(16)22/h2-7H,1H3,(H,20,22)
InChIKeyOISHCFVZAWAQKY-UHFFFAOYSA-N
MW399.07 g/mol
LogP4.85
Rot. Bonds1

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

3-(4-bromophenyl)-5,7-dichloro-3-methyl-1H-quinoline-2,4-dione (PubChem CID 11560362) has the molecular formula C16H10BrCl2NO2 and a molecular weight of 399.07 g/mol. Its IUPAC name is 3-(4-bromophenyl)-5,7-dichloro-3-methyl-1H-quinoline-2,4-dione.

Molecular Properties

Compound Name3-(4-bromophenyl)-5,7-dichloro-3-methyl-1H-quinoline-2,4-dione
PubChem CID11560362
Molecular FormulaC16H10BrCl2NO2
Molecular Weight399.07 g/mol
Exact Mass396.93
IUPAC Name3-(4-bromophenyl)-5,7-dichloro-3-methyl-1H-quinoline-2,4-dione
SMILESCC1(c2ccc(Br)cc2)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O
InChIInChI=1S/C16H10BrCl2NO2/c1-16(8-2-4-9(17)5-3-8)14(21)13-11(19)6-10(18)7-12(13)20-15(16)22/h2-7H,1H3,(H,20,22)
InChIKeyOISHCFVZAWAQKY-UHFFFAOYSA-N
XLogP4.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.07
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-(4-bromophenyl)-5,7-dichloro-3-methyl-1H-quinoline-2,4-dione?
The IUPAC name of 3-(4-bromophenyl)-5,7-dichloro-3-methyl-1H-quinoline-2,4-dione (CID 11560362) is 3-(4-bromophenyl)-5,7-dichloro-3-methyl-1H-quinoline-2,4-dione.
What is the SMILES notation for 3-(4-bromophenyl)-5,7-dichloro-3-methyl-1H-quinoline-2,4-dione?
The canonical SMILES for 3-(4-bromophenyl)-5,7-dichloro-3-methyl-1H-quinoline-2,4-dione is CC1(c2ccc(Br)cc2)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O.
What is the InChIKey of 3-(4-bromophenyl)-5,7-dichloro-3-methyl-1H-quinoline-2,4-dione?
The InChIKey is OISHCFVZAWAQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrCl2NO2/c1-16(8-2-4-9(17)5-3-8)14(21)13-11(19)6-10(18)7-12(13)20-15(16)22/h2-7H,1H3,(H,20,22).
What are the key properties of 3-(4-bromophenyl)-5,7-dichloro-3-methyl-1H-quinoline-2,4-dione?
3-(4-bromophenyl)-5,7-dichloro-3-methyl-1H-quinoline-2,4-dione has a molecular weight of 399.07 g/mol, XLogP of 4.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-5,7-dichloro-3-methyl-1H-quinoline-2,4-dione is sourced from PubChem (CID 11560362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).