5-bromo-4-hydroxy-2-quinolin-2-yl-1H-pyrimidin-6-one

C13H8BrN3O2 — CID 66284746

IUPAC5-bromo-4-hydroxy-2-quinolin-2-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccc3ccccc3n2)nc(O)c1Br
InChIInChI=1S/C13H8BrN3O2/c14-10-12(18)16-11(17-13(10)19)9-6-5-7-3-1-2-4-8(7)15-9/h1-6H,(H2,16,17,18,19)
InChIKeyRILBEVXWZIGBFZ-UHFFFAOYSA-N
MW318.13 g/mol
LogP2.45
Rot. Bonds1

About 5-bromo-4-hydroxy-2-quinolin-2-yl-1H-pyrimidin-6-one

5-bromo-4-hydroxy-2-quinolin-2-yl-1H-pyrimidin-6-one (PubChem CID 66284746) has the molecular formula C13H8BrN3O2 and a molecular weight of 318.13 g/mol. Its IUPAC name is 5-bromo-4-hydroxy-2-quinolin-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-hydroxy-2-quinolin-2-yl-1H-pyrimidin-6-one
PubChem CID66284746
Molecular FormulaC13H8BrN3O2
Molecular Weight318.13 g/mol
Exact Mass316.98
IUPAC Name5-bromo-4-hydroxy-2-quinolin-2-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccc3ccccc3n2)nc(O)c1Br
InChIInChI=1S/C13H8BrN3O2/c14-10-12(18)16-11(17-13(10)19)9-6-5-7-3-1-2-4-8(7)15-9/h1-6H,(H2,16,17,18,19)
InChIKeyRILBEVXWZIGBFZ-UHFFFAOYSA-N
XLogP2.45
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.13
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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5-bromo-4-hydroxy-2-imidazo[1,2-a]pyridin-2-yl-1H-pyrimidin-6-one
CID 66312695
2-(1H-benzimidazol-2-yl)quinoline
CID 646533
2-(1-benzothiophen-3-yl)-5-bromo-4-hydroxy-1H-pyrimidin-6-one
CID 66311722
5-bromo-2-(4-bromo-2-methylphenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 103083543
5-bromo-2-(3,5-difluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 66284556
2-(5-quinolin-2-yl-1H-pyrrol-2-yl)quinoline
CID 18470716
5-bromo-4-hydroxy-2-(3-propan-2-yloxyphenyl)-1H-pyrimidin-6-one
CID 66313092
(2-quinolin-2-yl-1H-imidazol-5-yl)methanamine
CID 63222608
5-bromo-2-(3-fluoro-4-methoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 66311914
5-bromo-2-(5-bromoquinolin-8-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 115959811

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-hydroxy-2-quinolin-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-hydroxy-2-quinolin-2-yl-1H-pyrimidin-6-one (CID 66284746) is 5-bromo-4-hydroxy-2-quinolin-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-hydroxy-2-quinolin-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-hydroxy-2-quinolin-2-yl-1H-pyrimidin-6-one is O=c1[nH]c(-c2ccc3ccccc3n2)nc(O)c1Br.
What is the InChIKey of 5-bromo-4-hydroxy-2-quinolin-2-yl-1H-pyrimidin-6-one?
The InChIKey is RILBEVXWZIGBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN3O2/c14-10-12(18)16-11(17-13(10)19)9-6-5-7-3-1-2-4-8(7)15-9/h1-6H,(H2,16,17,18,19).
What are the key properties of 5-bromo-4-hydroxy-2-quinolin-2-yl-1H-pyrimidin-6-one?
5-bromo-4-hydroxy-2-quinolin-2-yl-1H-pyrimidin-6-one has a molecular weight of 318.13 g/mol, XLogP of 2.45, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-hydroxy-2-quinolin-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 66284746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).