2-(4-chlorophenyl)-4-[(4-chlorophenyl)methoxy]quinazoline

C21H14Cl2N2O — CID 23852658

IUPAC2-(4-chlorophenyl)-4-[(4-chlorophenyl)methoxy]quinazoline
SMILESClc1ccc(COc2nc(-c3ccc(Cl)cc3)nc3ccccc23)cc1
InChIInChI=1S/C21H14Cl2N2O/c22-16-9-5-14(6-10-16)13-26-21-18-3-1-2-4-19(18)24-20(25-21)15-7-11-17(23)12-8-15/h1-12H,13H2
InChIKeyJGOZDHRQFAWPSE-UHFFFAOYSA-N
MW381.26 g/mol
LogP6.18
Rot. Bonds4

About 2-(4-chlorophenyl)-4-[(4-chlorophenyl)methoxy]quinazoline

2-(4-chlorophenyl)-4-[(4-chlorophenyl)methoxy]quinazoline (PubChem CID 23852658) has the molecular formula C21H14Cl2N2O and a molecular weight of 381.26 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-[(4-chlorophenyl)methoxy]quinazoline.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-[(4-chlorophenyl)methoxy]quinazoline
PubChem CID23852658
Molecular FormulaC21H14Cl2N2O
Molecular Weight381.26 g/mol
Exact Mass380.05
IUPAC Name2-(4-chlorophenyl)-4-[(4-chlorophenyl)methoxy]quinazoline
SMILESClc1ccc(COc2nc(-c3ccc(Cl)cc3)nc3ccccc23)cc1
InChIInChI=1S/C21H14Cl2N2O/c22-16-9-5-14(6-10-16)13-26-21-18-3-1-2-4-19(18)24-20(25-21)15-7-11-17(23)12-8-15/h1-12H,13H2
InChIKeyJGOZDHRQFAWPSE-UHFFFAOYSA-N
XLogP6.18
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.26
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-[(4-chlorophenyl)methoxy]quinazoline?
The IUPAC name of 2-(4-chlorophenyl)-4-[(4-chlorophenyl)methoxy]quinazoline (CID 23852658) is 2-(4-chlorophenyl)-4-[(4-chlorophenyl)methoxy]quinazoline.
What is the SMILES notation for 2-(4-chlorophenyl)-4-[(4-chlorophenyl)methoxy]quinazoline?
The canonical SMILES for 2-(4-chlorophenyl)-4-[(4-chlorophenyl)methoxy]quinazoline is Clc1ccc(COc2nc(-c3ccc(Cl)cc3)nc3ccccc23)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-[(4-chlorophenyl)methoxy]quinazoline?
The InChIKey is JGOZDHRQFAWPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2N2O/c22-16-9-5-14(6-10-16)13-26-21-18-3-1-2-4-19(18)24-20(25-21)15-7-11-17(23)12-8-15/h1-12H,13H2.
What are the key properties of 2-(4-chlorophenyl)-4-[(4-chlorophenyl)methoxy]quinazoline?
2-(4-chlorophenyl)-4-[(4-chlorophenyl)methoxy]quinazoline has a molecular weight of 381.26 g/mol, XLogP of 6.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-[(4-chlorophenyl)methoxy]quinazoline is sourced from PubChem (CID 23852658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).