5-bromo-2-(5-bromoquinolin-8-yl)-4-hydroxy-1H-pyrimidin-6-one

C13H7Br2N3O2 — CID 115959811

IUPAC5-bromo-2-(5-bromoquinolin-8-yl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccc(Br)c3cccnc23)nc(O)c1Br
InChIInChI=1S/C13H7Br2N3O2/c14-8-4-3-7(10-6(8)2-1-5-16-10)11-17-12(19)9(15)13(20)18-11/h1-5H,(H2,17,18,19,20)
InChIKeyYVAFKVWCBOIOBG-UHFFFAOYSA-N
MW397.03 g/mol
LogP3.22
Rot. Bonds1

About 5-bromo-2-(5-bromoquinolin-8-yl)-4-hydroxy-1H-pyrimidin-6-one

5-bromo-2-(5-bromoquinolin-8-yl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 115959811) has the molecular formula C13H7Br2N3O2 and a molecular weight of 397.03 g/mol. Its IUPAC name is 5-bromo-2-(5-bromoquinolin-8-yl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-(5-bromoquinolin-8-yl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID115959811
Molecular FormulaC13H7Br2N3O2
Molecular Weight397.03 g/mol
Exact Mass394.89
IUPAC Name5-bromo-2-(5-bromoquinolin-8-yl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccc(Br)c3cccnc23)nc(O)c1Br
InChIInChI=1S/C13H7Br2N3O2/c14-8-4-3-7(10-6(8)2-1-5-16-10)11-17-12(19)9(15)13(20)18-11/h1-5H,(H2,17,18,19,20)
InChIKeyYVAFKVWCBOIOBG-UHFFFAOYSA-N
XLogP3.22
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.03
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-benzothiophen-3-yl)-5-bromo-4-hydroxy-1H-pyrimidin-6-one
CID 66311722
5-[3-(5-bromoquinolin-8-yl)-1,2,4-oxadiazol-5-yl]-2-phenyl-1H-pyrimidin-6-one
CID 171674589
4-hydroxy-5-iodo-2-quinolin-8-yl-1H-pyrimidin-6-one
CID 66314256
5-bromo-2-(4-bromo-2-methylphenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 103083543
5-bromoquinolin-8-ol;nickel
CID 175092761
5-bromo-4-hydroxy-2-(2-methylpyrimidin-4-yl)-1H-pyrimidin-6-one
CID 115527441
3-(5-bromoquinolin-8-yl)-5-chloro-1,2,4-oxadiazole
CID 112618266
5-bromo-8-(4,6-dichloro-5-methylpyrimidin-2-yl)quinoline
CID 115959843
1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-4-yl]ethanone
CID 112618305
5-bromo-2-(4-chloro-2-methoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 106819074
2-(5-bromoquinolin-8-yl)-N-methylpyrimidin-4-amine
CID 112618401
5-bromo-4-hydroxy-2-naphthalen-2-yl-1H-pyrimidin-6-one
CID 66284557

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(5-bromoquinolin-8-yl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-(5-bromoquinolin-8-yl)-4-hydroxy-1H-pyrimidin-6-one (CID 115959811) is 5-bromo-2-(5-bromoquinolin-8-yl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-(5-bromoquinolin-8-yl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-(5-bromoquinolin-8-yl)-4-hydroxy-1H-pyrimidin-6-one is O=c1[nH]c(-c2ccc(Br)c3cccnc23)nc(O)c1Br.
What is the InChIKey of 5-bromo-2-(5-bromoquinolin-8-yl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is YVAFKVWCBOIOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2N3O2/c14-8-4-3-7(10-6(8)2-1-5-16-10)11-17-12(19)9(15)13(20)18-11/h1-5H,(H2,17,18,19,20).
What are the key properties of 5-bromo-2-(5-bromoquinolin-8-yl)-4-hydroxy-1H-pyrimidin-6-one?
5-bromo-2-(5-bromoquinolin-8-yl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 397.03 g/mol, XLogP of 3.22, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(5-bromoquinolin-8-yl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 115959811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).