5-(bromomethyl)-7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one

C15H11BrN2O3 — CID 11508494

IUPAC5-(bromomethyl)-7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one
SMILESO=c1c2c(CBr)cc(O)cc2ncn1-c1ccc(O)cc1
InChIInChI=1S/C15H11BrN2O3/c16-7-9-5-12(20)6-13-14(9)15(21)18(8-17-13)10-1-3-11(19)4-2-10/h1-6,8,19-20H,7H2
InChIKeyAPIIZMXWBPBMCW-UHFFFAOYSA-N
MW347.17 g/mol
LogP2.69
Rot. Bonds2

About 5-(bromomethyl)-7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one

5-(bromomethyl)-7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one (PubChem CID 11508494) has the molecular formula C15H11BrN2O3 and a molecular weight of 347.17 g/mol. Its IUPAC name is 5-(bromomethyl)-7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name5-(bromomethyl)-7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one
PubChem CID11508494
Molecular FormulaC15H11BrN2O3
Molecular Weight347.17 g/mol
Exact Mass346.00
IUPAC Name5-(bromomethyl)-7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one
SMILESO=c1c2c(CBr)cc(O)cc2ncn1-c1ccc(O)cc1
InChIInChI=1S/C15H11BrN2O3/c16-7-9-5-12(20)6-13-14(9)15(21)18(8-17-13)10-1-3-11(19)4-2-10/h1-6,8,19-20H,7H2
InChIKeyAPIIZMXWBPBMCW-UHFFFAOYSA-N
XLogP2.69
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.17
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

7-hydroxy-5-(hydroxymethyl)-3-(4-hydroxyphenyl)quinazolin-4-one
CID 11644885
5-ethyl-7-hydroxy-3-(4-methylphenyl)quinazolin-4-one
CID 59837928
5-hydroxy-3-(4-hydroxyphenyl)-7-methoxyquinazolin-4-one
CID 10379126
5-hydroxy-6-iodo-7-methoxy-3-(4-methoxyphenyl)quinazolin-4-one
CID 11510099
1-(4-aminophenyl)benzimidazol-5-ol;ethane
CID 145364845
3-(4-hydroxyphenyl)imidazo[4,5-b]pyridine-6-carboxylic acid
CID 59815650
methyl 7-methoxy-3-(4-methoxyphenyl)-4-oxoquinazoline-5-carboxylate
CID 11602536
6-[(E)-2-(furan-2-yl)ethenyl]-3-(4-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-one
CID 143525817
3-(4-chlorophenyl)-5,6-difluoro-7-(trifluoromethyl)quinazolin-4-one
CID 141291009
ethyl 3-[[3-(4-hydroxyphenyl)-4-oxoquinazolin-7-yl]oxymethyl]-2-methylbenzoate
CID 140529940
N-[4-(benzimidazol-1-yl)phenyl]-2-(4-hydroxyphenyl)acetamide
CID 78840226
2-[4-(6-amino-4-oxoquinazolin-3-yl)phenyl]acetic acid
CID 16641562

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one?
The IUPAC name of 5-(bromomethyl)-7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one (CID 11508494) is 5-(bromomethyl)-7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one.
What is the SMILES notation for 5-(bromomethyl)-7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one?
The canonical SMILES for 5-(bromomethyl)-7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one is O=c1c2c(CBr)cc(O)cc2ncn1-c1ccc(O)cc1.
What is the InChIKey of 5-(bromomethyl)-7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one?
The InChIKey is APIIZMXWBPBMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O3/c16-7-9-5-12(20)6-13-14(9)15(21)18(8-17-13)10-1-3-11(19)4-2-10/h1-6,8,19-20H,7H2.
What are the key properties of 5-(bromomethyl)-7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one?
5-(bromomethyl)-7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one has a molecular weight of 347.17 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one is sourced from PubChem (CID 11508494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).