2-(4-chlorophenyl)-4-(4-phenylphenyl)quinazoline

C26H17ClN2 — CID 90419241

IUPAC2-(4-chlorophenyl)-4-(4-phenylphenyl)quinazoline
SMILESClc1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C26H17ClN2/c27-22-16-14-21(15-17-22)26-28-24-9-5-4-8-23(24)25(29-26)20-12-10-19(11-13-20)18-6-2-1-3-7-18/h1-17H
InChIKeyFMBZXHUFHIXHHA-UHFFFAOYSA-N
MW392.89 g/mol
LogP7.28
Rot. Bonds3

About 2-(4-chlorophenyl)-4-(4-phenylphenyl)quinazoline

2-(4-chlorophenyl)-4-(4-phenylphenyl)quinazoline (PubChem CID 90419241) has the molecular formula C26H17ClN2 and a molecular weight of 392.89 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-(4-phenylphenyl)quinazoline.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-(4-phenylphenyl)quinazoline
PubChem CID90419241
Molecular FormulaC26H17ClN2
Molecular Weight392.89 g/mol
Exact Mass392.11
IUPAC Name2-(4-chlorophenyl)-4-(4-phenylphenyl)quinazoline
SMILESClc1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C26H17ClN2/c27-22-16-14-21(15-17-22)26-28-24-9-5-4-8-23(24)25(29-26)20-12-10-19(11-13-20)18-6-2-1-3-7-18/h1-17H
InChIKeyFMBZXHUFHIXHHA-UHFFFAOYSA-N
XLogP7.28
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.89
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-chlorophenyl)-4-(4-phenylphenyl)quinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-(4-phenylphenyl)quinazoline?
The IUPAC name of 2-(4-chlorophenyl)-4-(4-phenylphenyl)quinazoline (CID 90419241) is 2-(4-chlorophenyl)-4-(4-phenylphenyl)quinazoline.
What is the SMILES notation for 2-(4-chlorophenyl)-4-(4-phenylphenyl)quinazoline?
The canonical SMILES for 2-(4-chlorophenyl)-4-(4-phenylphenyl)quinazoline is Clc1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-(4-phenylphenyl)quinazoline?
The InChIKey is FMBZXHUFHIXHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17ClN2/c27-22-16-14-21(15-17-22)26-28-24-9-5-4-8-23(24)25(29-26)20-12-10-19(11-13-20)18-6-2-1-3-7-18/h1-17H.
What are the key properties of 2-(4-chlorophenyl)-4-(4-phenylphenyl)quinazoline?
2-(4-chlorophenyl)-4-(4-phenylphenyl)quinazoline has a molecular weight of 392.89 g/mol, XLogP of 7.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-(4-phenylphenyl)quinazoline is sourced from PubChem (CID 90419241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).