6-(4-bromoanilino)quinoline-5,8-dione

C15H9BrN2O2 — CID 15537864

IUPAC6-(4-bromoanilino)quinoline-5,8-dione
SMILESO=C1C(Nc2ccc(Br)cc2)=CC(=O)c2ncccc21
InChIInChI=1S/C15H9BrN2O2/c16-9-3-5-10(6-4-9)18-12-8-13(19)14-11(15(12)20)2-1-7-17-14/h1-8,18H
InChIKeyDQKFPHMZVBFFGV-UHFFFAOYSA-N
MW329.15 g/mol
LogP3.22
Rot. Bonds2

About 6-(4-bromoanilino)quinoline-5,8-dione

6-(4-bromoanilino)quinoline-5,8-dione (PubChem CID 15537864) has the molecular formula C15H9BrN2O2 and a molecular weight of 329.15 g/mol. Its IUPAC name is 6-(4-bromoanilino)quinoline-5,8-dione.

Molecular Properties

Compound Name6-(4-bromoanilino)quinoline-5,8-dione
PubChem CID15537864
Molecular FormulaC15H9BrN2O2
Molecular Weight329.15 g/mol
Exact Mass327.98
IUPAC Name6-(4-bromoanilino)quinoline-5,8-dione
SMILESO=C1C(Nc2ccc(Br)cc2)=CC(=O)c2ncccc21
InChIInChI=1S/C15H9BrN2O2/c16-9-3-5-10(6-4-9)18-12-8-13(19)14-11(15(12)20)2-1-7-17-14/h1-8,18H
InChIKeyDQKFPHMZVBFFGV-UHFFFAOYSA-N
XLogP3.22
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.15
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(Phenylamino)-5,8-quinolinedione
CID 3976
Caulibugulone B
CID 2596
Gangamicin
CID 99132
N-(4-bromo-3-methylphenyl)pyridine-3-carboxamide
CID 771963
5,8-Dihydroquinoline-5,8-dione
CID 388306
3-Methyl-7-(methylamino)isoquinoline-5,8-dione
CID 21818908
5,8-Quinolinedione, 6-((3-dibutylamino)propyl)amino-
CID 99151
2-(2-Amino-5-bromobenzoyl)pyridine
CID 73807
6,7-Dibromoquinoline-5,8-dione
CID 255964
N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide
CID 2301666
6-Amino-7-chloro-5,8-dioxoquinoline
CID 96583
7-Aminoquinoline-5,8-dione
CID 253688

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromoanilino)quinoline-5,8-dione?
The IUPAC name of 6-(4-bromoanilino)quinoline-5,8-dione (CID 15537864) is 6-(4-bromoanilino)quinoline-5,8-dione.
What is the SMILES notation for 6-(4-bromoanilino)quinoline-5,8-dione?
The canonical SMILES for 6-(4-bromoanilino)quinoline-5,8-dione is O=C1C(Nc2ccc(Br)cc2)=CC(=O)c2ncccc21.
What is the InChIKey of 6-(4-bromoanilino)quinoline-5,8-dione?
The InChIKey is DQKFPHMZVBFFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrN2O2/c16-9-3-5-10(6-4-9)18-12-8-13(19)14-11(15(12)20)2-1-7-17-14/h1-8,18H.
What are the key properties of 6-(4-bromoanilino)quinoline-5,8-dione?
6-(4-bromoanilino)quinoline-5,8-dione has a molecular weight of 329.15 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromoanilino)quinoline-5,8-dione is sourced from PubChem (CID 15537864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).