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

C23H17BrN2O3 — CID 2870155

IUPAC2-[2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one
SMILESCOc1ccccc1-n1c(C=Cc2cc(Br)ccc2O)nc2ccccc2c1=O
InChIInChI=1S/C23H17BrN2O3/c1-29-21-9-5-4-8-19(21)26-22(13-10-15-14-16(24)11-12-20(15)27)25-18-7-3-2-6-17(18)23(26)28/h2-14,27H,1H3
InChIKeyJECXZDRPUNBRON-UHFFFAOYSA-N
MW449.30 g/mol
LogP5.03
Rot. Bonds4

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

2-[2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one (PubChem CID 2870155) has the molecular formula C23H17BrN2O3 and a molecular weight of 449.30 g/mol. Its IUPAC name is 2-[2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one
PubChem CID2870155
Molecular FormulaC23H17BrN2O3
Molecular Weight449.30 g/mol
Exact Mass448.04
IUPAC Name2-[2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one
SMILESCOc1ccccc1-n1c(C=Cc2cc(Br)ccc2O)nc2ccccc2c1=O
InChIInChI=1S/C23H17BrN2O3/c1-29-21-9-5-4-8-19(21)26-22(13-10-15-14-16(24)11-12-20(15)27)25-18-7-3-2-6-17(18)23(26)28/h2-14,27H,1H3
InChIKeyJECXZDRPUNBRON-UHFFFAOYSA-N
XLogP5.03
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.30
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-Methoxyphenyl)-2-phenyl-4(3H)-quinazolinone
CID 722875
2-Ethyl-3-(2-methoxy-phenyl)-3H-quinazolin-4-one
CID 754087
Quinazolin-4(3H)-one, 2-[2-(2-hydroxyphenyl)ethenyl]-3-(3-methoxyphenyl)-
CID 135419118
2-[2-(5-bromo-2-hydroxyphenyl)vinyl]-3-(2-hydroxyethyl)-4(3H)-quinazolinone
CID 135588678
2-Benzyl-3-(2-methoxyphenyl)quinazolin-4-one
CID 910683
2-(2-Bromophenyl)-3-(4-methoxyphenyl)quinazolin-4-one
CID 1330763
2-[2-(3-bromophenyl)vinyl]-3-(4-hydroxyphenyl)-4(3H)-quinazolinone
CID 9537954
4-bromo-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-pentylbenzamide
CID 42723399
(E)-3-(4-bromophenyl)-2-(2-hydroxystyryl)quinazolin-4(3H)-one
CID 135419108
2-[2-(5-Bromo-2-hydroxy-phenyl)-vinyl]-3-ethyl-3H-quinazolin-4-one
CID 135439014
2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4(3H)-one
CID 135451298
3-(2-methoxyphenyl)-2-(4-methylphenyl)quinazolin-4(3H)-one
CID 1849769

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one?
The IUPAC name of 2-[2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one (CID 2870155) is 2-[2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one.
What is the SMILES notation for 2-[2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one?
The canonical SMILES for 2-[2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one is COc1ccccc1-n1c(C=Cc2cc(Br)ccc2O)nc2ccccc2c1=O.
What is the InChIKey of 2-[2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one?
The InChIKey is JECXZDRPUNBRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17BrN2O3/c1-29-21-9-5-4-8-19(21)26-22(13-10-15-14-16(24)11-12-20(15)27)25-18-7-3-2-6-17(18)23(26)28/h2-14,27H,1H3.
What are the key properties of 2-[2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one?
2-[2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one has a molecular weight of 449.30 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one is sourced from PubChem (CID 2870155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).