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

C18H15BrN2O2 — CID 135439014

IUPAC2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-ethylquinazolin-4-one
SMILESCCn1c(/C=C/c2cc(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/b10-7+
InChIKeyKQAOKFBKVJSZRN-JXMROGBWSA-N
MW371.23 g/mol
LogP4.05
Rot. Bonds3

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

2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-ethylquinazolin-4-one (PubChem CID 135439014) has the molecular formula C18H15BrN2O2 and a molecular weight of 371.23 g/mol. Its IUPAC name is 2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-ethylquinazolin-4-one.

Molecular Properties

Compound Name2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-ethylquinazolin-4-one
PubChem CID135439014
Molecular FormulaC18H15BrN2O2
Molecular Weight371.23 g/mol
Exact Mass370.03
IUPAC Name2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-ethylquinazolin-4-one
SMILESCCn1c(/C=C/c2cc(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/b10-7+
InChIKeyKQAOKFBKVJSZRN-JXMROGBWSA-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-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-ethylquinazolin-4-one?
The IUPAC name of 2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-ethylquinazolin-4-one (CID 135439014) is 2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-ethylquinazolin-4-one.
What is the SMILES notation for 2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-ethylquinazolin-4-one?
The canonical SMILES for 2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-ethylquinazolin-4-one is CCn1c(/C=C/c2cc(Br)ccc2O)nc2ccccc2c1=O.
What is the InChIKey of 2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-ethylquinazolin-4-one?
The InChIKey is KQAOKFBKVJSZRN-JXMROGBWSA-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/b10-7+.
What are the key properties of 2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-ethylquinazolin-4-one?
2-[(E)-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-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-ethylquinazolin-4-one is sourced from PubChem (CID 135439014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).