7-bromo-2-phenylquinoline-5,8-dione

C15H8BrNO2 — CID 142429724

IUPAC7-bromo-2-phenylquinoline-5,8-dione
SMILESO=C1C=C(Br)C(=O)c2nc(-c3ccccc3)ccc21
InChIInChI=1S/C15H8BrNO2/c16-11-8-13(18)10-6-7-12(17-14(10)15(11)19)9-4-2-1-3-5-9/h1-8H
InChIKeyFKMZCJXIPKWRQE-UHFFFAOYSA-N
MW314.14 g/mol
LogP3.41
Rot. Bonds1

About 7-bromo-2-phenylquinoline-5,8-dione

7-bromo-2-phenylquinoline-5,8-dione (PubChem CID 142429724) has the molecular formula C15H8BrNO2 and a molecular weight of 314.14 g/mol. Its IUPAC name is 7-bromo-2-phenylquinoline-5,8-dione.

Molecular Properties

Compound Name7-bromo-2-phenylquinoline-5,8-dione
PubChem CID142429724
Molecular FormulaC15H8BrNO2
Molecular Weight314.14 g/mol
Exact Mass312.97
IUPAC Name7-bromo-2-phenylquinoline-5,8-dione
SMILESO=C1C=C(Br)C(=O)c2nc(-c3ccccc3)ccc21
InChIInChI=1S/C15H8BrNO2/c16-11-8-13(18)10-6-7-12(17-14(10)15(11)19)9-4-2-1-3-5-9/h1-8H
InChIKeyFKMZCJXIPKWRQE-UHFFFAOYSA-N
XLogP3.41
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.14
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

7-(aziridin-1-yl)-2-phenylquinoline-5,8-dione
CID 24853870
7-bromo-2-chloroquinoline-5,8-dione
CID 44632455
4,23-diphenyl-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2(7),3,5,8,10,12,14,16,18,21,23-dodecaene
CID 164778968
3-bromo-2,6-diphenylpyridine
CID 56839636
6-bromo-2-phenyl-1,3-benzothiazole-4,7-dione
CID 10781935
2-bromo-6-phenyl-3-(4-phenylphenyl)pyridine
CID 142746925
3,6-diphenyl-2-pyridin-2-ylpyridine
CID 11652473
bis(2,4-dibromo-6-[[(4-phenyl-1,3-thiazol-2-yl)amino]methylidene]cyclohexa-2,4-dien-1-one);nickel
CID 6787817
bis(2,4-dibromo-6-[[(4-phenyl-1,3-thiazol-2-yl)amino]methylidene]cyclohexa-2,4-dien-1-one);zinc
CID 6798239
2-phenylanthracene-1,4-dione
CID 165358923
2-chloro-3,6-diphenylpyridine
CID 165358662
7-chloro-2-[2-(diethylamino)phenyl]quinoline-5,8-dione
CID 56947295

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-phenylquinoline-5,8-dione?
The IUPAC name of 7-bromo-2-phenylquinoline-5,8-dione (CID 142429724) is 7-bromo-2-phenylquinoline-5,8-dione.
What is the SMILES notation for 7-bromo-2-phenylquinoline-5,8-dione?
The canonical SMILES for 7-bromo-2-phenylquinoline-5,8-dione is O=C1C=C(Br)C(=O)c2nc(-c3ccccc3)ccc21.
What is the InChIKey of 7-bromo-2-phenylquinoline-5,8-dione?
The InChIKey is FKMZCJXIPKWRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrNO2/c16-11-8-13(18)10-6-7-12(17-14(10)15(11)19)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 7-bromo-2-phenylquinoline-5,8-dione?
7-bromo-2-phenylquinoline-5,8-dione has a molecular weight of 314.14 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-phenylquinoline-5,8-dione is sourced from PubChem (CID 142429724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).