4-chloro-2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]quinazoline

C18H15ClN2O2 — CID 46885793

IUPAC4-chloro-2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]quinazoline
SMILESCOc1ccc(/C=C/c2nc(Cl)c3ccccc3n2)c(OC)c1
InChIInChI=1S/C18H15ClN2O2/c1-22-13-9-7-12(16(11-13)23-2)8-10-17-20-15-6-4-3-5-14(15)18(19)21-17/h3-11H,1-2H3/b10-8+
InChIKeyOHUNMWUQTWEGLZ-CSKARUKUSA-N
MW326.78 g/mol
LogP4.47
Rot. Bonds4

About 4-chloro-2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]quinazoline

4-chloro-2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]quinazoline (PubChem CID 46885793) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is 4-chloro-2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]quinazoline.

Molecular Properties

Compound Name4-chloro-2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]quinazoline
PubChem CID46885793
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name4-chloro-2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]quinazoline
SMILESCOc1ccc(/C=C/c2nc(Cl)c3ccccc3n2)c(OC)c1
InChIInChI=1S/C18H15ClN2O2/c1-22-13-9-7-12(16(11-13)23-2)8-10-17-20-15-6-4-3-5-14(15)18(19)21-17/h3-11H,1-2H3/b10-8+
InChIKeyOHUNMWUQTWEGLZ-CSKARUKUSA-N
XLogP4.47
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]quinazoline?
The IUPAC name of 4-chloro-2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]quinazoline (CID 46885793) is 4-chloro-2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]quinazoline.
What is the SMILES notation for 4-chloro-2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]quinazoline?
The canonical SMILES for 4-chloro-2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]quinazoline is COc1ccc(/C=C/c2nc(Cl)c3ccccc3n2)c(OC)c1.
What is the InChIKey of 4-chloro-2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]quinazoline?
The InChIKey is OHUNMWUQTWEGLZ-CSKARUKUSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-22-13-9-7-12(16(11-13)23-2)8-10-17-20-15-6-4-3-5-14(15)18(19)21-17/h3-11H,1-2H3/b10-8+.
What are the key properties of 4-chloro-2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]quinazoline?
4-chloro-2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]quinazoline has a molecular weight of 326.78 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]quinazoline is sourced from PubChem (CID 46885793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).