7-bromo-3-(2-hydroxyethyl)quinazolin-4-one

C10H9BrN2O2 — CID 78961146

IUPAC7-bromo-3-(2-hydroxyethyl)quinazolin-4-one
SMILESO=c1c2ccc(Br)cc2ncn1CCO
InChIInChI=1S/C10H9BrN2O2/c11-7-1-2-8-9(5-7)12-6-13(3-4-14)10(8)15/h1-2,5-6,14H,3-4H2
InChIKeyKWHQRIRDIKTVGI-UHFFFAOYSA-N
MW269.10 g/mol
LogP1.15
Rot. Bonds2

About 7-bromo-3-(2-hydroxyethyl)quinazolin-4-one

7-bromo-3-(2-hydroxyethyl)quinazolin-4-one (PubChem CID 78961146) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is 7-bromo-3-(2-hydroxyethyl)quinazolin-4-one.

Molecular Properties

Compound Name7-bromo-3-(2-hydroxyethyl)quinazolin-4-one
PubChem CID78961146
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Name7-bromo-3-(2-hydroxyethyl)quinazolin-4-one
SMILESO=c1c2ccc(Br)cc2ncn1CCO
InChIInChI=1S/C10H9BrN2O2/c11-7-1-2-8-9(5-7)12-6-13(3-4-14)10(8)15/h1-2,5-6,14H,3-4H2
InChIKeyKWHQRIRDIKTVGI-UHFFFAOYSA-N
XLogP1.15
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(2-hydroxyethyl)quinazolin-4-one?
The IUPAC name of 7-bromo-3-(2-hydroxyethyl)quinazolin-4-one (CID 78961146) is 7-bromo-3-(2-hydroxyethyl)quinazolin-4-one.
What is the SMILES notation for 7-bromo-3-(2-hydroxyethyl)quinazolin-4-one?
The canonical SMILES for 7-bromo-3-(2-hydroxyethyl)quinazolin-4-one is O=c1c2ccc(Br)cc2ncn1CCO.
What is the InChIKey of 7-bromo-3-(2-hydroxyethyl)quinazolin-4-one?
The InChIKey is KWHQRIRDIKTVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c11-7-1-2-8-9(5-7)12-6-13(3-4-14)10(8)15/h1-2,5-6,14H,3-4H2.
What are the key properties of 7-bromo-3-(2-hydroxyethyl)quinazolin-4-one?
7-bromo-3-(2-hydroxyethyl)quinazolin-4-one has a molecular weight of 269.10 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(2-hydroxyethyl)quinazolin-4-one is sourced from PubChem (CID 78961146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).