4-[2-(4-chlorophenoxy)phenyl]-2-ethoxyquinazoline

C22H17ClN2O2 — CID 67859427

IUPAC4-[2-(4-chlorophenoxy)phenyl]-2-ethoxyquinazoline
SMILESCCOc1nc(-c2ccccc2Oc2ccc(Cl)cc2)c2ccccc2n1
InChIInChI=1S/C22H17ClN2O2/c1-2-26-22-24-19-9-5-3-7-17(19)21(25-22)18-8-4-6-10-20(18)27-16-13-11-15(23)12-14-16/h3-14H,2H2,1H3
InChIKeyOHZLVTGUNXFTIY-UHFFFAOYSA-N
MW376.84 g/mol
LogP6.14
Rot. Bonds5

About 4-[2-(4-chlorophenoxy)phenyl]-2-ethoxyquinazoline

4-[2-(4-chlorophenoxy)phenyl]-2-ethoxyquinazoline (PubChem CID 67859427) has the molecular formula C22H17ClN2O2 and a molecular weight of 376.84 g/mol. Its IUPAC name is 4-[2-(4-chlorophenoxy)phenyl]-2-ethoxyquinazoline.

Molecular Properties

Compound Name4-[2-(4-chlorophenoxy)phenyl]-2-ethoxyquinazoline
PubChem CID67859427
Molecular FormulaC22H17ClN2O2
Molecular Weight376.84 g/mol
Exact Mass376.10
IUPAC Name4-[2-(4-chlorophenoxy)phenyl]-2-ethoxyquinazoline
SMILESCCOc1nc(-c2ccccc2Oc2ccc(Cl)cc2)c2ccccc2n1
InChIInChI=1S/C22H17ClN2O2/c1-2-26-22-24-19-9-5-3-7-17(19)21(25-22)18-8-4-6-10-20(18)27-16-13-11-15(23)12-14-16/h3-14H,2H2,1H3
InChIKeyOHZLVTGUNXFTIY-UHFFFAOYSA-N
XLogP6.14
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.84
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenoxy)phenyl]-2-ethoxyquinazoline?
The IUPAC name of 4-[2-(4-chlorophenoxy)phenyl]-2-ethoxyquinazoline (CID 67859427) is 4-[2-(4-chlorophenoxy)phenyl]-2-ethoxyquinazoline.
What is the SMILES notation for 4-[2-(4-chlorophenoxy)phenyl]-2-ethoxyquinazoline?
The canonical SMILES for 4-[2-(4-chlorophenoxy)phenyl]-2-ethoxyquinazoline is CCOc1nc(-c2ccccc2Oc2ccc(Cl)cc2)c2ccccc2n1.
What is the InChIKey of 4-[2-(4-chlorophenoxy)phenyl]-2-ethoxyquinazoline?
The InChIKey is OHZLVTGUNXFTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O2/c1-2-26-22-24-19-9-5-3-7-17(19)21(25-22)18-8-4-6-10-20(18)27-16-13-11-15(23)12-14-16/h3-14H,2H2,1H3.
What are the key properties of 4-[2-(4-chlorophenoxy)phenyl]-2-ethoxyquinazoline?
4-[2-(4-chlorophenoxy)phenyl]-2-ethoxyquinazoline has a molecular weight of 376.84 g/mol, XLogP of 6.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenoxy)phenyl]-2-ethoxyquinazoline is sourced from PubChem (CID 67859427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).