4-chloro-2-[(E)-2-(3-methoxyphenyl)ethenyl]quinazoline

C17H13ClN2O — CID 46885792

IUPAC4-chloro-2-[(E)-2-(3-methoxyphenyl)ethenyl]quinazoline
SMILESCOc1cccc(/C=C/c2nc(Cl)c3ccccc3n2)c1
InChIInChI=1S/C17H13ClN2O/c1-21-13-6-4-5-12(11-13)9-10-16-19-15-8-3-2-7-14(15)17(18)20-16/h2-11H,1H3/b10-9+
InChIKeyOOARXBHSQLFUFE-MDZDMXLPSA-N
MW296.76 g/mol
LogP4.46
Rot. Bonds3

About 4-chloro-2-[(E)-2-(3-methoxyphenyl)ethenyl]quinazoline

4-chloro-2-[(E)-2-(3-methoxyphenyl)ethenyl]quinazoline (PubChem CID 46885792) has the molecular formula C17H13ClN2O and a molecular weight of 296.76 g/mol. Its IUPAC name is 4-chloro-2-[(E)-2-(3-methoxyphenyl)ethenyl]quinazoline.

Molecular Properties

Compound Name4-chloro-2-[(E)-2-(3-methoxyphenyl)ethenyl]quinazoline
PubChem CID46885792
Molecular FormulaC17H13ClN2O
Molecular Weight296.76 g/mol
Exact Mass296.07
IUPAC Name4-chloro-2-[(E)-2-(3-methoxyphenyl)ethenyl]quinazoline
SMILESCOc1cccc(/C=C/c2nc(Cl)c3ccccc3n2)c1
InChIInChI=1S/C17H13ClN2O/c1-21-13-6-4-5-12(11-13)9-10-16-19-15-8-3-2-7-14(15)17(18)20-16/h2-11H,1H3/b10-9+
InChIKeyOOARXBHSQLFUFE-MDZDMXLPSA-N
XLogP4.46
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(E)-2-(3-methoxyphenyl)ethenyl]quinazoline?
The IUPAC name of 4-chloro-2-[(E)-2-(3-methoxyphenyl)ethenyl]quinazoline (CID 46885792) is 4-chloro-2-[(E)-2-(3-methoxyphenyl)ethenyl]quinazoline.
What is the SMILES notation for 4-chloro-2-[(E)-2-(3-methoxyphenyl)ethenyl]quinazoline?
The canonical SMILES for 4-chloro-2-[(E)-2-(3-methoxyphenyl)ethenyl]quinazoline is COc1cccc(/C=C/c2nc(Cl)c3ccccc3n2)c1.
What is the InChIKey of 4-chloro-2-[(E)-2-(3-methoxyphenyl)ethenyl]quinazoline?
The InChIKey is OOARXBHSQLFUFE-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H13ClN2O/c1-21-13-6-4-5-12(11-13)9-10-16-19-15-8-3-2-7-14(15)17(18)20-16/h2-11H,1H3/b10-9+.
What are the key properties of 4-chloro-2-[(E)-2-(3-methoxyphenyl)ethenyl]quinazoline?
4-chloro-2-[(E)-2-(3-methoxyphenyl)ethenyl]quinazoline has a molecular weight of 296.76 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(E)-2-(3-methoxyphenyl)ethenyl]quinazoline is sourced from PubChem (CID 46885792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).