5-[1-(4-chlorophenyl)ethoxy]quinazoline

C16H13ClN2O — CID 121364299

IUPAC5-[1-(4-chlorophenyl)ethoxy]quinazoline
SMILESCC(Oc1cccc2ncncc12)c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2O/c1-11(12-5-7-13(17)8-6-12)20-16-4-2-3-15-14(16)9-18-10-19-15/h2-11H,1H3
InChIKeySCXOIHHTKQKLAQ-UHFFFAOYSA-N
MW284.75 g/mol
LogP4.42
Rot. Bonds3

About 5-[1-(4-chlorophenyl)ethoxy]quinazoline

5-[1-(4-chlorophenyl)ethoxy]quinazoline (PubChem CID 121364299) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 5-[1-(4-chlorophenyl)ethoxy]quinazoline.

Molecular Properties

Compound Name5-[1-(4-chlorophenyl)ethoxy]quinazoline
PubChem CID121364299
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name5-[1-(4-chlorophenyl)ethoxy]quinazoline
SMILESCC(Oc1cccc2ncncc12)c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2O/c1-11(12-5-7-13(17)8-6-12)20-16-4-2-3-15-14(16)9-18-10-19-15/h2-11H,1H3
InChIKeySCXOIHHTKQKLAQ-UHFFFAOYSA-N
XLogP4.42
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-chlorophenyl)ethoxy]quinazoline?
The IUPAC name of 5-[1-(4-chlorophenyl)ethoxy]quinazoline (CID 121364299) is 5-[1-(4-chlorophenyl)ethoxy]quinazoline.
What is the SMILES notation for 5-[1-(4-chlorophenyl)ethoxy]quinazoline?
The canonical SMILES for 5-[1-(4-chlorophenyl)ethoxy]quinazoline is CC(Oc1cccc2ncncc12)c1ccc(Cl)cc1.
What is the InChIKey of 5-[1-(4-chlorophenyl)ethoxy]quinazoline?
The InChIKey is SCXOIHHTKQKLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c1-11(12-5-7-13(17)8-6-12)20-16-4-2-3-15-14(16)9-18-10-19-15/h2-11H,1H3.
What are the key properties of 5-[1-(4-chlorophenyl)ethoxy]quinazoline?
5-[1-(4-chlorophenyl)ethoxy]quinazoline has a molecular weight of 284.75 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-chlorophenyl)ethoxy]quinazoline is sourced from PubChem (CID 121364299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).