5-(4-chlorophenoxy)-2-ethoxy-4-phenylquinazoline

C22H17ClN2O2 — CID 67859425

IUPAC5-(4-chlorophenoxy)-2-ethoxy-4-phenylquinazoline
SMILESCCOc1nc(-c2ccccc2)c2c(Oc3ccc(Cl)cc3)cccc2n1
InChIInChI=1S/C22H17ClN2O2/c1-2-26-22-24-18-9-6-10-19(27-17-13-11-16(23)12-14-17)20(18)21(25-22)15-7-4-3-5-8-15/h3-14H,2H2,1H3
InChIKeyOBCSTGLGTGXCSI-UHFFFAOYSA-N
MW376.84 g/mol
LogP6.14
Rot. Bonds5

About 5-(4-chlorophenoxy)-2-ethoxy-4-phenylquinazoline

5-(4-chlorophenoxy)-2-ethoxy-4-phenylquinazoline (PubChem CID 67859425) has the molecular formula C22H17ClN2O2 and a molecular weight of 376.84 g/mol. Its IUPAC name is 5-(4-chlorophenoxy)-2-ethoxy-4-phenylquinazoline.

Molecular Properties

Compound Name5-(4-chlorophenoxy)-2-ethoxy-4-phenylquinazoline
PubChem CID67859425
Molecular FormulaC22H17ClN2O2
Molecular Weight376.84 g/mol
Exact Mass376.10
IUPAC Name5-(4-chlorophenoxy)-2-ethoxy-4-phenylquinazoline
SMILESCCOc1nc(-c2ccccc2)c2c(Oc3ccc(Cl)cc3)cccc2n1
InChIInChI=1S/C22H17ClN2O2/c1-2-26-22-24-18-9-6-10-19(27-17-13-11-16(23)12-14-17)20(18)21(25-22)15-7-4-3-5-8-15/h3-14H,2H2,1H3
InChIKeyOBCSTGLGTGXCSI-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 5-(4-chlorophenoxy)-2-ethoxy-4-phenylquinazoline?
The IUPAC name of 5-(4-chlorophenoxy)-2-ethoxy-4-phenylquinazoline (CID 67859425) is 5-(4-chlorophenoxy)-2-ethoxy-4-phenylquinazoline.
What is the SMILES notation for 5-(4-chlorophenoxy)-2-ethoxy-4-phenylquinazoline?
The canonical SMILES for 5-(4-chlorophenoxy)-2-ethoxy-4-phenylquinazoline is CCOc1nc(-c2ccccc2)c2c(Oc3ccc(Cl)cc3)cccc2n1.
What is the InChIKey of 5-(4-chlorophenoxy)-2-ethoxy-4-phenylquinazoline?
The InChIKey is OBCSTGLGTGXCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O2/c1-2-26-22-24-18-9-6-10-19(27-17-13-11-16(23)12-14-17)20(18)21(25-22)15-7-4-3-5-8-15/h3-14H,2H2,1H3.
What are the key properties of 5-(4-chlorophenoxy)-2-ethoxy-4-phenylquinazoline?
5-(4-chlorophenoxy)-2-ethoxy-4-phenylquinazoline 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 5-(4-chlorophenoxy)-2-ethoxy-4-phenylquinazoline is sourced from PubChem (CID 67859425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).