2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-(2-hydroxyethyl)quinazolin-4-one

C18H15BrN2O3 — CID 135588678

IUPAC2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-(2-hydroxyethyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(/C=C/c2cc(Br)ccc2O)n1CCO
InChIInChI=1S/C18H15BrN2O3/c19-13-6-7-16(23)12(11-13)5-8-17-20-15-4-2-1-3-14(15)18(24)21(17)9-10-22/h1-8,11,22-23H,9-10H2/b8-5+
InChIKeySEZVCHSJLFZPTL-VMPITWQZSA-N
MW387.23 g/mol
LogP3.03
Rot. Bonds4

About 2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-(2-hydroxyethyl)quinazolin-4-one

2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-(2-hydroxyethyl)quinazolin-4-one (PubChem CID 135588678) has the molecular formula C18H15BrN2O3 and a molecular weight of 387.23 g/mol. Its IUPAC name is 2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-(2-hydroxyethyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-(2-hydroxyethyl)quinazolin-4-one
PubChem CID135588678
Molecular FormulaC18H15BrN2O3
Molecular Weight387.23 g/mol
Exact Mass386.03
IUPAC Name2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-(2-hydroxyethyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(/C=C/c2cc(Br)ccc2O)n1CCO
InChIInChI=1S/C18H15BrN2O3/c19-13-6-7-16(23)12(11-13)5-8-17-20-15-4-2-1-3-14(15)18(24)21(17)9-10-22/h1-8,11,22-23H,9-10H2/b8-5+
InChIKeySEZVCHSJLFZPTL-VMPITWQZSA-N
XLogP3.03
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.23
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-(2-hydroxyethyl)quinazolin-4-one?
The IUPAC name of 2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-(2-hydroxyethyl)quinazolin-4-one (CID 135588678) is 2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-(2-hydroxyethyl)quinazolin-4-one.
What is the SMILES notation for 2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-(2-hydroxyethyl)quinazolin-4-one?
The canonical SMILES for 2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-(2-hydroxyethyl)quinazolin-4-one is O=c1c2ccccc2nc(/C=C/c2cc(Br)ccc2O)n1CCO.
What is the InChIKey of 2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-(2-hydroxyethyl)quinazolin-4-one?
The InChIKey is SEZVCHSJLFZPTL-VMPITWQZSA-N. The full InChI is InChI=1S/C18H15BrN2O3/c19-13-6-7-16(23)12(11-13)5-8-17-20-15-4-2-1-3-14(15)18(24)21(17)9-10-22/h1-8,11,22-23H,9-10H2/b8-5+.
What are the key properties of 2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-(2-hydroxyethyl)quinazolin-4-one?
2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-(2-hydroxyethyl)quinazolin-4-one has a molecular weight of 387.23 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-(2-hydroxyethyl)quinazolin-4-one is sourced from PubChem (CID 135588678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).