4-[2-[2-(2-fluorophenoxy)ethoxy]ethoxy]quinazoline

C18H17FN2O3 — CID 5343268

IUPAC4-[2-[2-(2-fluorophenoxy)ethoxy]ethoxy]quinazoline
SMILESFc1ccccc1OCCOCCOc1ncnc2ccccc12
InChIInChI=1S/C18H17FN2O3/c19-15-6-2-4-8-17(15)23-11-9-22-10-12-24-18-14-5-1-3-7-16(14)20-13-21-18/h1-8,13H,9-12H2
InChIKeyJNXSQOURVTWLML-UHFFFAOYSA-N
MW328.34 g/mol
LogP3.24
Rot. Bonds8

About 4-[2-[2-(2-fluorophenoxy)ethoxy]ethoxy]quinazoline

4-[2-[2-(2-fluorophenoxy)ethoxy]ethoxy]quinazoline (PubChem CID 5343268) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is 4-[2-[2-(2-fluorophenoxy)ethoxy]ethoxy]quinazoline.

Molecular Properties

Compound Name4-[2-[2-(2-fluorophenoxy)ethoxy]ethoxy]quinazoline
PubChem CID5343268
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name4-[2-[2-(2-fluorophenoxy)ethoxy]ethoxy]quinazoline
SMILESFc1ccccc1OCCOCCOc1ncnc2ccccc12
InChIInChI=1S/C18H17FN2O3/c19-15-6-2-4-8-17(15)23-11-9-22-10-12-24-18-14-5-1-3-7-16(14)20-13-21-18/h1-8,13H,9-12H2
InChIKeyJNXSQOURVTWLML-UHFFFAOYSA-N
XLogP3.24
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-4-[2-(2-fluorophenoxy)ethoxy]quinazoline
CID 4790054
4-[2-[4-(4-fluorophenyl)phenyl]ethoxy]quinazoline
CID 54258705
1-[2-(2-chloroethoxy)ethoxy]-2-fluorobenzene
CID 63663798
4-[4-(2-nitrophenoxy)butoxy]quinazoline
CID 3790434
1-ethoxy-2-[2-[2-(2-fluorophenoxy)ethoxy]ethoxy]benzene
CID 2283298
4-ethoxyquinazoline
CID 589708
4-[2-(2,3,6-trimethylphenoxy)ethoxy]quinazoline
CID 3820862
4-[2-(3-bromophenoxy)ethoxy]quinazoline
CID 55327258
2-quinazolin-4-yloxybenzoic acid
CID 61395473
1-fluoro-2-[3-(2-methoxyethoxy)propoxy]benzene
CID 103413941
4-[(4-chlorophenyl)methoxy]quinazoline
CID 55327565
O-[2-(2-fluorophenoxy)ethyl]hydroxylamine
CID 11019312

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2-fluorophenoxy)ethoxy]ethoxy]quinazoline?
The IUPAC name of 4-[2-[2-(2-fluorophenoxy)ethoxy]ethoxy]quinazoline (CID 5343268) is 4-[2-[2-(2-fluorophenoxy)ethoxy]ethoxy]quinazoline.
What is the SMILES notation for 4-[2-[2-(2-fluorophenoxy)ethoxy]ethoxy]quinazoline?
The canonical SMILES for 4-[2-[2-(2-fluorophenoxy)ethoxy]ethoxy]quinazoline is Fc1ccccc1OCCOCCOc1ncnc2ccccc12.
What is the InChIKey of 4-[2-[2-(2-fluorophenoxy)ethoxy]ethoxy]quinazoline?
The InChIKey is JNXSQOURVTWLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c19-15-6-2-4-8-17(15)23-11-9-22-10-12-24-18-14-5-1-3-7-16(14)20-13-21-18/h1-8,13H,9-12H2.
What are the key properties of 4-[2-[2-(2-fluorophenoxy)ethoxy]ethoxy]quinazoline?
4-[2-[2-(2-fluorophenoxy)ethoxy]ethoxy]quinazoline has a molecular weight of 328.34 g/mol, XLogP of 3.24, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2-fluorophenoxy)ethoxy]ethoxy]quinazoline is sourced from PubChem (CID 5343268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).