2-(4-bromophenyl)-3-[2-(3-methoxyphenoxy)ethyl]quinazolin-4-one

C23H19BrN2O3 — CID 15991202

IUPAC2-(4-bromophenyl)-3-[2-(3-methoxyphenoxy)ethyl]quinazolin-4-one
SMILESCOc1cccc(OCCn2c(-c3ccc(Br)cc3)nc3ccccc3c2=O)c1
InChIInChI=1S/C23H19BrN2O3/c1-28-18-5-4-6-19(15-18)29-14-13-26-22(16-9-11-17(24)12-10-16)25-21-8-3-2-7-20(21)23(26)27/h2-12,15H,13-14H2,1H3
InChIKeySEIROONTHCIJMX-UHFFFAOYSA-N
MW451.32 g/mol
LogP4.91
Rot. Bonds6

About 2-(4-bromophenyl)-3-[2-(3-methoxyphenoxy)ethyl]quinazolin-4-one

2-(4-bromophenyl)-3-[2-(3-methoxyphenoxy)ethyl]quinazolin-4-one (PubChem CID 15991202) has the molecular formula C23H19BrN2O3 and a molecular weight of 451.32 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-[2-(3-methoxyphenoxy)ethyl]quinazolin-4-one.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-[2-(3-methoxyphenoxy)ethyl]quinazolin-4-one
PubChem CID15991202
Molecular FormulaC23H19BrN2O3
Molecular Weight451.32 g/mol
Exact Mass450.06
IUPAC Name2-(4-bromophenyl)-3-[2-(3-methoxyphenoxy)ethyl]quinazolin-4-one
SMILESCOc1cccc(OCCn2c(-c3ccc(Br)cc3)nc3ccccc3c2=O)c1
InChIInChI=1S/C23H19BrN2O3/c1-28-18-5-4-6-19(15-18)29-14-13-26-22(16-9-11-17(24)12-10-16)25-21-8-3-2-7-20(21)23(26)27/h2-12,15H,13-14H2,1H3
InChIKeySEIROONTHCIJMX-UHFFFAOYSA-N
XLogP4.91
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.32
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(2,6-dimethoxyphenoxy)ethyl]-2-(4-methoxyphenyl)quinazolin-4-one
CID 3534114
2-(4-methoxyphenyl)-3-[2-(2,4,6-trimethylphenoxy)ethyl]quinazolin-4-one
CID 2041529
3-[2-[2,6-di(propan-2-yl)phenoxy]ethyl]-2-(4-methoxyphenyl)quinazolin-4-one
CID 2004073
3-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethyl]-2-(4-methoxyphenyl)quinazolin-4-one
CID 2014020
3-[6-(3,4-dimethylphenoxy)hexyl]-2-(4-methoxyphenyl)quinazolin-4-one
CID 2024284
3-[2-[2-(2-bromo-4-methylphenoxy)ethoxy]ethyl]-2-(4-methoxyphenyl)quinazolin-4-one
CID 3252987
3-[5-(4-ethoxyphenoxy)pentyl]-2-(4-methoxyphenyl)quinazolin-4-one
CID 2010216
2-(4-bromophenyl)-3-[3-(2,3,5-trimethylphenoxy)propyl]quinazolin-4-one
CID 47007241
3-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylphenyl)quinazolin-4-one
CID 17035993
2-(4-methoxyphenyl)-3-[5-(4-propan-2-ylphenoxy)pentyl]quinazolin-4-one
CID 2021024
2-(4-methoxyphenyl)-1-[2-(3-methylphenoxy)ethyl]benzimidazole
CID 17001320
2-(4-bromophenyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole
CID 17001216

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3-[2-(3-methoxyphenoxy)ethyl]quinazolin-4-one?
The IUPAC name of 2-(4-bromophenyl)-3-[2-(3-methoxyphenoxy)ethyl]quinazolin-4-one (CID 15991202) is 2-(4-bromophenyl)-3-[2-(3-methoxyphenoxy)ethyl]quinazolin-4-one.
What is the SMILES notation for 2-(4-bromophenyl)-3-[2-(3-methoxyphenoxy)ethyl]quinazolin-4-one?
The canonical SMILES for 2-(4-bromophenyl)-3-[2-(3-methoxyphenoxy)ethyl]quinazolin-4-one is COc1cccc(OCCn2c(-c3ccc(Br)cc3)nc3ccccc3c2=O)c1.
What is the InChIKey of 2-(4-bromophenyl)-3-[2-(3-methoxyphenoxy)ethyl]quinazolin-4-one?
The InChIKey is SEIROONTHCIJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN2O3/c1-28-18-5-4-6-19(15-18)29-14-13-26-22(16-9-11-17(24)12-10-16)25-21-8-3-2-7-20(21)23(26)27/h2-12,15H,13-14H2,1H3.
What are the key properties of 2-(4-bromophenyl)-3-[2-(3-methoxyphenoxy)ethyl]quinazolin-4-one?
2-(4-bromophenyl)-3-[2-(3-methoxyphenoxy)ethyl]quinazolin-4-one has a molecular weight of 451.32 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3-[2-(3-methoxyphenoxy)ethyl]quinazolin-4-one is sourced from PubChem (CID 15991202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).