8-bromo-2-(4-hydroxyphenyl)-3H-quinazolin-4-one

C14H9BrN2O2 — CID 178071051

IUPAC8-bromo-2-(4-hydroxyphenyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccc(O)cc2)nc2c(Br)cccc12
InChIInChI=1S/C14H9BrN2O2/c15-11-3-1-2-10-12(11)16-13(17-14(10)19)8-4-6-9(18)7-5-8/h1-7,18H,(H,16,17,19)
InChIKeyZPNCCQBBULWCJY-UHFFFAOYSA-N
MW317.14 g/mol
LogP3.06
Rot. Bonds1

About 8-bromo-2-(4-hydroxyphenyl)-3H-quinazolin-4-one

8-bromo-2-(4-hydroxyphenyl)-3H-quinazolin-4-one (PubChem CID 178071051) has the molecular formula C14H9BrN2O2 and a molecular weight of 317.14 g/mol. Its IUPAC name is 8-bromo-2-(4-hydroxyphenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name8-bromo-2-(4-hydroxyphenyl)-3H-quinazolin-4-one
PubChem CID178071051
Molecular FormulaC14H9BrN2O2
Molecular Weight317.14 g/mol
Exact Mass315.98
IUPAC Name8-bromo-2-(4-hydroxyphenyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccc(O)cc2)nc2c(Br)cccc12
InChIInChI=1S/C14H9BrN2O2/c15-11-3-1-2-10-12(11)16-13(17-14(10)19)8-4-6-9(18)7-5-8/h1-7,18H,(H,16,17,19)
InChIKeyZPNCCQBBULWCJY-UHFFFAOYSA-N
XLogP3.06
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.14
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(8-hydroxy-4-oxo-3H-quinazolin-2-yl)benzonitrile
CID 135411211
(E)-3-[2-(4-hydroxyphenyl)-4-oxo-3H-quinazolin-8-yl]-N-propan-2-ylprop-2-enamide
CID 178071037
2-(4-bromophenyl)-3H-quinazolin-4-one
CID 135421564
N-(8-bromo-4-oxo-3H-quinazolin-2-yl)acetamide
CID 135742304
4-(7-bromo-2H-indazol-3-yl)phenol
CID 136705355
2-(4-hydroxyphenyl)-6-(125I)iodo-3H-quinazolin-4-one
CID 135541903
8-methoxy-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
CID 135513721
2-(4-tert-butylphenyl)-8-nitro-3H-quinazolin-4-one
CID 172677792
(E)-3-[2-(4-hydroxyphenyl)-4-oxo-3H-quinazolin-8-yl]-N-(oxan-2-yloxy)prop-2-enamide
CID 178071022
methyl 4-(4-bromo-1H-benzimidazol-2-yl)benzoate
CID 166067422
2-[3-bromo-5-(trifluoromethyl)phenyl]-8-fluoro-3H-quinazolin-4-one
CID 137108934
4-amino-2-(4-hydroxyphenyl)-5-nitroso-1H-pyrimidin-6-one
CID 152778097

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-(4-hydroxyphenyl)-3H-quinazolin-4-one?
The IUPAC name of 8-bromo-2-(4-hydroxyphenyl)-3H-quinazolin-4-one (CID 178071051) is 8-bromo-2-(4-hydroxyphenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 8-bromo-2-(4-hydroxyphenyl)-3H-quinazolin-4-one?
The canonical SMILES for 8-bromo-2-(4-hydroxyphenyl)-3H-quinazolin-4-one is O=c1[nH]c(-c2ccc(O)cc2)nc2c(Br)cccc12.
What is the InChIKey of 8-bromo-2-(4-hydroxyphenyl)-3H-quinazolin-4-one?
The InChIKey is ZPNCCQBBULWCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2O2/c15-11-3-1-2-10-12(11)16-13(17-14(10)19)8-4-6-9(18)7-5-8/h1-7,18H,(H,16,17,19).
What are the key properties of 8-bromo-2-(4-hydroxyphenyl)-3H-quinazolin-4-one?
8-bromo-2-(4-hydroxyphenyl)-3H-quinazolin-4-one has a molecular weight of 317.14 g/mol, XLogP of 3.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-(4-hydroxyphenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 178071051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).