7-bromo-6-hydroxy-3-methylquinazolin-4-one

C9H7BrN2O2 — CID 154676891

IUPAC7-bromo-6-hydroxy-3-methylquinazolin-4-one
SMILESCn1cnc2cc(Br)c(O)cc2c1=O
InChIInChI=1S/C9H7BrN2O2/c1-12-4-11-7-3-6(10)8(13)2-5(7)9(12)14/h2-4,13H,1H3
InChIKeyXWLSHKCGXYNGSC-UHFFFAOYSA-N
MW255.07 g/mol
LogP1.40
Rot. Bonds

About 7-bromo-6-hydroxy-3-methylquinazolin-4-one

7-bromo-6-hydroxy-3-methylquinazolin-4-one (PubChem CID 154676891) has the molecular formula C9H7BrN2O2 and a molecular weight of 255.07 g/mol. Its IUPAC name is 7-bromo-6-hydroxy-3-methylquinazolin-4-one.

Molecular Properties

Compound Name7-bromo-6-hydroxy-3-methylquinazolin-4-one
PubChem CID154676891
Molecular FormulaC9H7BrN2O2
Molecular Weight255.07 g/mol
Exact Mass253.97
IUPAC Name7-bromo-6-hydroxy-3-methylquinazolin-4-one
SMILESCn1cnc2cc(Br)c(O)cc2c1=O
InChIInChI=1S/C9H7BrN2O2/c1-12-4-11-7-3-6(10)8(13)2-5(7)9(12)14/h2-4,13H,1H3
InChIKeyXWLSHKCGXYNGSC-UHFFFAOYSA-N
XLogP1.40
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.07
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-7-hydroxy-3-methylquinazolin-4-one
CID 154676732
6-tert-butyl-3-methylquinazolin-4-one
CID 59391740
6-(3-hydroxyprop-1-ynyl)-3-methylquinazolin-4-one
CID 169485621
6-(4-bromo-1,2-dihydroxybutyl)-3-methylquinazolin-4-one
CID 171892829
7-bromo-6-chloro-3-(2-oxopropyl)quinazolin-4-one
CID 143941840
3-methylpyrido[4,3-d]pyrimidin-4-one
CID 59514464
3-methyl-7-(2-phenylethynyl)quinazolin-4-one
CID 58574174
6-(4-bromobut-1-ynyl)-3-methylquinazolin-4-one
CID 170466882
6-(4-aminophenoxy)-3-methylquinazolin-4-one
CID 25112229
3-methyl-7-[2-(methylamino)ethylamino]quinazolin-4-one
CID 142210275
2-[[(3-methyl-4-oxoquinazolin-7-yl)amino]methylidene]propanedinitrile
CID 167938945
1-methylbenzimidazole-5,6-diol;hydrobromide
CID 70571502

Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-hydroxy-3-methylquinazolin-4-one?
The IUPAC name of 7-bromo-6-hydroxy-3-methylquinazolin-4-one (CID 154676891) is 7-bromo-6-hydroxy-3-methylquinazolin-4-one.
What is the SMILES notation for 7-bromo-6-hydroxy-3-methylquinazolin-4-one?
The canonical SMILES for 7-bromo-6-hydroxy-3-methylquinazolin-4-one is Cn1cnc2cc(Br)c(O)cc2c1=O.
What is the InChIKey of 7-bromo-6-hydroxy-3-methylquinazolin-4-one?
The InChIKey is XWLSHKCGXYNGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O2/c1-12-4-11-7-3-6(10)8(13)2-5(7)9(12)14/h2-4,13H,1H3.
What are the key properties of 7-bromo-6-hydroxy-3-methylquinazolin-4-one?
7-bromo-6-hydroxy-3-methylquinazolin-4-one has a molecular weight of 255.07 g/mol, XLogP of 1.40, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-hydroxy-3-methylquinazolin-4-one is sourced from PubChem (CID 154676891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).