4-(4-phenoxyphenyl)-2-phenylquinazoline

C26H18N2O — CID 555170

IUPAC4-(4-phenoxyphenyl)-2-phenylquinazoline
SMILESc1ccc(Oc2ccc(-c3nc(-c4ccccc4)nc4ccccc34)cc2)cc1
InChIInChI=1S/C26H18N2O/c1-3-9-20(10-4-1)26-27-24-14-8-7-13-23(24)25(28-26)19-15-17-22(18-16-19)29-21-11-5-2-6-12-21/h1-18H
InChIKeyXGZFKSHOPYMODG-UHFFFAOYSA-N
MW374.44 g/mol
LogP6.76
Rot. Bonds4

About 4-(4-phenoxyphenyl)-2-phenylquinazoline

4-(4-phenoxyphenyl)-2-phenylquinazoline (PubChem CID 555170) has the molecular formula C26H18N2O and a molecular weight of 374.44 g/mol. Its IUPAC name is 4-(4-phenoxyphenyl)-2-phenylquinazoline.

Molecular Properties

Compound Name4-(4-phenoxyphenyl)-2-phenylquinazoline
PubChem CID555170
Molecular FormulaC26H18N2O
Molecular Weight374.44 g/mol
Exact Mass374.14
IUPAC Name4-(4-phenoxyphenyl)-2-phenylquinazoline
SMILESc1ccc(Oc2ccc(-c3nc(-c4ccccc4)nc4ccccc34)cc2)cc1
InChIInChI=1S/C26H18N2O/c1-3-9-20(10-4-1)26-27-24-14-8-7-13-23(24)25(28-26)19-15-17-22(18-16-19)29-21-11-5-2-6-12-21/h1-18H
InChIKeyXGZFKSHOPYMODG-UHFFFAOYSA-N
XLogP6.76
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.44
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-phenoxyphenyl)-2-phenylquinazoline?
The IUPAC name of 4-(4-phenoxyphenyl)-2-phenylquinazoline (CID 555170) is 4-(4-phenoxyphenyl)-2-phenylquinazoline.
What is the SMILES notation for 4-(4-phenoxyphenyl)-2-phenylquinazoline?
The canonical SMILES for 4-(4-phenoxyphenyl)-2-phenylquinazoline is c1ccc(Oc2ccc(-c3nc(-c4ccccc4)nc4ccccc34)cc2)cc1.
What is the InChIKey of 4-(4-phenoxyphenyl)-2-phenylquinazoline?
The InChIKey is XGZFKSHOPYMODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2O/c1-3-9-20(10-4-1)26-27-24-14-8-7-13-23(24)25(28-26)19-15-17-22(18-16-19)29-21-11-5-2-6-12-21/h1-18H.
What are the key properties of 4-(4-phenoxyphenyl)-2-phenylquinazoline?
4-(4-phenoxyphenyl)-2-phenylquinazoline has a molecular weight of 374.44 g/mol, XLogP of 6.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenoxyphenyl)-2-phenylquinazoline is sourced from PubChem (CID 555170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).