4-[2-[4-(4-(18F)fluorobutyl)phenyl]ethoxy]quinazoline

C20H21FN2O — CID 11151464

IUPAC4-[2-[4-(4-(18F)fluorobutyl)phenyl]ethoxy]quinazoline
SMILES[18F]CCCCc1ccc(CCOc2ncnc3ccccc23)cc1
InChIInChI=1S/C20H21FN2O/c21-13-4-3-5-16-8-10-17(11-9-16)12-14-24-20-18-6-1-2-7-19(18)22-15-23-20/h1-2,6-11,15H,3-5,12-14H2/i21-1
InChIKeyMEHNABVKMOVICO-GJQNQZCXSA-N
MW323.40 g/mol
LogP4.54
Rot. Bonds8

About 4-[2-[4-(4-(18F)fluorobutyl)phenyl]ethoxy]quinazoline

4-[2-[4-(4-(18F)fluorobutyl)phenyl]ethoxy]quinazoline (PubChem CID 11151464) has the molecular formula C20H21FN2O and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-[2-[4-(4-(18F)fluorobutyl)phenyl]ethoxy]quinazoline.

Molecular Properties

Compound Name4-[2-[4-(4-(18F)fluorobutyl)phenyl]ethoxy]quinazoline
PubChem CID11151464
Molecular FormulaC20H21FN2O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name4-[2-[4-(4-(18F)fluorobutyl)phenyl]ethoxy]quinazoline
SMILES[18F]CCCCc1ccc(CCOc2ncnc3ccccc23)cc1
InChIInChI=1S/C20H21FN2O/c21-13-4-3-5-16-8-10-17(11-9-16)12-14-24-20-18-6-1-2-7-19(18)22-15-23-20/h1-2,6-11,15H,3-5,12-14H2/i21-1
InChIKeyMEHNABVKMOVICO-GJQNQZCXSA-N
XLogP4.54
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(4-(18F)fluorobutyl)phenyl]ethoxy]quinazoline?
The IUPAC name of 4-[2-[4-(4-(18F)fluorobutyl)phenyl]ethoxy]quinazoline (CID 11151464) is 4-[2-[4-(4-(18F)fluorobutyl)phenyl]ethoxy]quinazoline.
What is the SMILES notation for 4-[2-[4-(4-(18F)fluorobutyl)phenyl]ethoxy]quinazoline?
The canonical SMILES for 4-[2-[4-(4-(18F)fluorobutyl)phenyl]ethoxy]quinazoline is [18F]CCCCc1ccc(CCOc2ncnc3ccccc23)cc1.
What is the InChIKey of 4-[2-[4-(4-(18F)fluorobutyl)phenyl]ethoxy]quinazoline?
The InChIKey is MEHNABVKMOVICO-GJQNQZCXSA-N. The full InChI is InChI=1S/C20H21FN2O/c21-13-4-3-5-16-8-10-17(11-9-16)12-14-24-20-18-6-1-2-7-19(18)22-15-23-20/h1-2,6-11,15H,3-5,12-14H2/i21-1.
What are the key properties of 4-[2-[4-(4-(18F)fluorobutyl)phenyl]ethoxy]quinazoline?
4-[2-[4-(4-(18F)fluorobutyl)phenyl]ethoxy]quinazoline has a molecular weight of 323.40 g/mol, XLogP of 4.54, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(4-(18F)fluorobutyl)phenyl]ethoxy]quinazoline is sourced from PubChem (CID 11151464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).