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

C18H15BrN2O2 — CID 2880269

IUPAC2-[2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-ethylquinazolin-4-one
SMILESCCn1c(C=Cc2cc(Br)ccc2O)nc2ccccc2c1=O
InChIInChI=1S/C18H15BrN2O2/c1-2-21-17(10-7-12-11-13(19)8-9-16(12)22)20-15-6-4-3-5-14(15)18(21)23/h3-11,22H,2H2,1H3
InChIKeyKQAOKFBKVJSZRN-UHFFFAOYSA-N
MW371.23 g/mol
LogP4.05
Rot. Bonds3

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

2-[2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-ethylquinazolin-4-one (PubChem CID 2880269) has the molecular formula C18H15BrN2O2 and a molecular weight of 371.23 g/mol. Its IUPAC name is 2-[2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-ethylquinazolin-4-one.

Molecular Properties

Compound Name2-[2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-ethylquinazolin-4-one
PubChem CID2880269
Molecular FormulaC18H15BrN2O2
Molecular Weight371.23 g/mol
Exact Mass370.03
IUPAC Name2-[2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-ethylquinazolin-4-one
SMILESCCn1c(C=Cc2cc(Br)ccc2O)nc2ccccc2c1=O
InChIInChI=1S/C18H15BrN2O2/c1-2-21-17(10-7-12-11-13(19)8-9-16(12)22)20-15-6-4-3-5-14(15)18(21)23/h3-11,22H,2H2,1H3
InChIKeyKQAOKFBKVJSZRN-UHFFFAOYSA-N
XLogP4.05
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-ethylquinazolin-4-one?
The IUPAC name of 2-[2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-ethylquinazolin-4-one (CID 2880269) is 2-[2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-ethylquinazolin-4-one.
What is the SMILES notation for 2-[2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-ethylquinazolin-4-one?
The canonical SMILES for 2-[2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-ethylquinazolin-4-one is CCn1c(C=Cc2cc(Br)ccc2O)nc2ccccc2c1=O.
What is the InChIKey of 2-[2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-ethylquinazolin-4-one?
The InChIKey is KQAOKFBKVJSZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O2/c1-2-21-17(10-7-12-11-13(19)8-9-16(12)22)20-15-6-4-3-5-14(15)18(21)23/h3-11,22H,2H2,1H3.
What are the key properties of 2-[2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-ethylquinazolin-4-one?
2-[2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-ethylquinazolin-4-one has a molecular weight of 371.23 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-ethylquinazolin-4-one is sourced from PubChem (CID 2880269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).