2-[2-(4-chlorophenyl)ethoxy]-8-fluoroquinazoline

C16H12ClFN2O — CID 23126517

IUPAC2-[2-(4-chlorophenyl)ethoxy]-8-fluoroquinazoline
SMILESFc1cccc2cnc(OCCc3ccc(Cl)cc3)nc12
InChIInChI=1S/C16H12ClFN2O/c17-13-6-4-11(5-7-13)8-9-21-16-19-10-12-2-1-3-14(18)15(12)20-16/h1-7,10H,8-9H2
InChIKeyUEYPUJMCCQMIDU-UHFFFAOYSA-N
MW302.74 g/mol
LogP4.04
Rot. Bonds4

About 2-[2-(4-chlorophenyl)ethoxy]-8-fluoroquinazoline

2-[2-(4-chlorophenyl)ethoxy]-8-fluoroquinazoline (PubChem CID 23126517) has the molecular formula C16H12ClFN2O and a molecular weight of 302.74 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethoxy]-8-fluoroquinazoline.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethoxy]-8-fluoroquinazoline
PubChem CID23126517
Molecular FormulaC16H12ClFN2O
Molecular Weight302.74 g/mol
Exact Mass302.06
IUPAC Name2-[2-(4-chlorophenyl)ethoxy]-8-fluoroquinazoline
SMILESFc1cccc2cnc(OCCc3ccc(Cl)cc3)nc12
InChIInChI=1S/C16H12ClFN2O/c17-13-6-4-11(5-7-13)8-9-21-16-19-10-12-2-1-3-14(18)15(12)20-16/h1-7,10H,8-9H2
InChIKeyUEYPUJMCCQMIDU-UHFFFAOYSA-N
XLogP4.04
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.74
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethoxy]-8-fluoroquinazoline?
The IUPAC name of 2-[2-(4-chlorophenyl)ethoxy]-8-fluoroquinazoline (CID 23126517) is 2-[2-(4-chlorophenyl)ethoxy]-8-fluoroquinazoline.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethoxy]-8-fluoroquinazoline?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethoxy]-8-fluoroquinazoline is Fc1cccc2cnc(OCCc3ccc(Cl)cc3)nc12.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethoxy]-8-fluoroquinazoline?
The InChIKey is UEYPUJMCCQMIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O/c17-13-6-4-11(5-7-13)8-9-21-16-19-10-12-2-1-3-14(18)15(12)20-16/h1-7,10H,8-9H2.
What are the key properties of 2-[2-(4-chlorophenyl)ethoxy]-8-fluoroquinazoline?
2-[2-(4-chlorophenyl)ethoxy]-8-fluoroquinazoline has a molecular weight of 302.74 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethoxy]-8-fluoroquinazoline is sourced from PubChem (CID 23126517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).