4-[2-[4-(4-fluorophenyl)phenyl]ethoxy]quinazoline

C22H17FN2O — CID 54258705

IUPAC4-[2-[4-(4-fluorophenyl)phenyl]ethoxy]quinazoline
SMILESFc1ccc(-c2ccc(CCOc3ncnc4ccccc34)cc2)cc1
InChIInChI=1S/C22H17FN2O/c23-19-11-9-18(10-12-19)17-7-5-16(6-8-17)13-14-26-22-20-3-1-2-4-21(20)24-15-25-22/h1-12,15H,13-14H2
InChIKeyRBYDAJKSGKPHMK-UHFFFAOYSA-N
MW344.39 g/mol
LogP5.06
Rot. Bonds5

About 4-[2-[4-(4-fluorophenyl)phenyl]ethoxy]quinazoline

4-[2-[4-(4-fluorophenyl)phenyl]ethoxy]quinazoline (PubChem CID 54258705) has the molecular formula C22H17FN2O and a molecular weight of 344.39 g/mol. Its IUPAC name is 4-[2-[4-(4-fluorophenyl)phenyl]ethoxy]quinazoline.

Molecular Properties

Compound Name4-[2-[4-(4-fluorophenyl)phenyl]ethoxy]quinazoline
PubChem CID54258705
Molecular FormulaC22H17FN2O
Molecular Weight344.39 g/mol
Exact Mass344.13
IUPAC Name4-[2-[4-(4-fluorophenyl)phenyl]ethoxy]quinazoline
SMILESFc1ccc(-c2ccc(CCOc3ncnc4ccccc34)cc2)cc1
InChIInChI=1S/C22H17FN2O/c23-19-11-9-18(10-12-19)17-7-5-16(6-8-17)13-14-26-22-20-3-1-2-4-21(20)24-15-25-22/h1-12,15H,13-14H2
InChIKeyRBYDAJKSGKPHMK-UHFFFAOYSA-N
XLogP5.06
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.39
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(4-fluorophenyl)phenyl]ethoxy]quinazoline?
The IUPAC name of 4-[2-[4-(4-fluorophenyl)phenyl]ethoxy]quinazoline (CID 54258705) is 4-[2-[4-(4-fluorophenyl)phenyl]ethoxy]quinazoline.
What is the SMILES notation for 4-[2-[4-(4-fluorophenyl)phenyl]ethoxy]quinazoline?
The canonical SMILES for 4-[2-[4-(4-fluorophenyl)phenyl]ethoxy]quinazoline is Fc1ccc(-c2ccc(CCOc3ncnc4ccccc34)cc2)cc1.
What is the InChIKey of 4-[2-[4-(4-fluorophenyl)phenyl]ethoxy]quinazoline?
The InChIKey is RBYDAJKSGKPHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O/c23-19-11-9-18(10-12-19)17-7-5-16(6-8-17)13-14-26-22-20-3-1-2-4-21(20)24-15-25-22/h1-12,15H,13-14H2.
What are the key properties of 4-[2-[4-(4-fluorophenyl)phenyl]ethoxy]quinazoline?
4-[2-[4-(4-fluorophenyl)phenyl]ethoxy]quinazoline has a molecular weight of 344.39 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(4-fluorophenyl)phenyl]ethoxy]quinazoline is sourced from PubChem (CID 54258705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).