8-fluoro-4-[2-(3-phenoxyphenyl)ethoxy]quinazoline

C22H17FN2O2 — CID 23196614

IUPAC8-fluoro-4-[2-(3-phenoxyphenyl)ethoxy]quinazoline
SMILESFc1cccc2c(OCCc3cccc(Oc4ccccc4)c3)ncnc12
InChIInChI=1S/C22H17FN2O2/c23-20-11-5-10-19-21(20)24-15-25-22(19)26-13-12-16-6-4-9-18(14-16)27-17-7-2-1-3-8-17/h1-11,14-15H,12-13H2
InChIKeyXQYWVYIGKCVHQA-UHFFFAOYSA-N
MW360.39 g/mol
LogP5.18
Rot. Bonds6

About 8-fluoro-4-[2-(3-phenoxyphenyl)ethoxy]quinazoline

8-fluoro-4-[2-(3-phenoxyphenyl)ethoxy]quinazoline (PubChem CID 23196614) has the molecular formula C22H17FN2O2 and a molecular weight of 360.39 g/mol. Its IUPAC name is 8-fluoro-4-[2-(3-phenoxyphenyl)ethoxy]quinazoline.

Molecular Properties

Compound Name8-fluoro-4-[2-(3-phenoxyphenyl)ethoxy]quinazoline
PubChem CID23196614
Molecular FormulaC22H17FN2O2
Molecular Weight360.39 g/mol
Exact Mass360.13
IUPAC Name8-fluoro-4-[2-(3-phenoxyphenyl)ethoxy]quinazoline
SMILESFc1cccc2c(OCCc3cccc(Oc4ccccc4)c3)ncnc12
InChIInChI=1S/C22H17FN2O2/c23-20-11-5-10-19-21(20)24-15-25-22(19)26-13-12-16-6-4-9-18(14-16)27-17-7-2-1-3-8-17/h1-11,14-15H,12-13H2
InChIKeyXQYWVYIGKCVHQA-UHFFFAOYSA-N
XLogP5.18
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.39
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[3-(4-chlorophenoxy)phenyl]ethoxy]-8-fluoroquinazoline
CID 67837979
8-fluoro-4-[2-(4-propylphenyl)ethoxy]quinazoline
CID 154480659
8-fluoro-4-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethoxy]quinazoline
CID 139616704
8-fluoro-4-(3,3,3-trifluoropropoxy)quinazoline
CID 67619682
1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
CID 3046200
4-[2-(3-phenylsulfanylphenyl)ethoxy]quinazoline
CID 67620011
1-fluoro-4-[3-(6-phenylhexyl)phenoxy]benzene
CID 58531395
1-phenoxy-3-(3-phenylpropyl)benzene
CID 173282204
1-(3-chloropropyl)-3-phenoxybenzene
CID 14030253
8-fluoro-4-(4-pyrazol-1-ylphenoxy)quinazoline
CID 154754655
CID 163958367
CID 163958367
(3-phenoxyphenyl)methylphosphane
CID 70930904

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-[2-(3-phenoxyphenyl)ethoxy]quinazoline?
The IUPAC name of 8-fluoro-4-[2-(3-phenoxyphenyl)ethoxy]quinazoline (CID 23196614) is 8-fluoro-4-[2-(3-phenoxyphenyl)ethoxy]quinazoline.
What is the SMILES notation for 8-fluoro-4-[2-(3-phenoxyphenyl)ethoxy]quinazoline?
The canonical SMILES for 8-fluoro-4-[2-(3-phenoxyphenyl)ethoxy]quinazoline is Fc1cccc2c(OCCc3cccc(Oc4ccccc4)c3)ncnc12.
What is the InChIKey of 8-fluoro-4-[2-(3-phenoxyphenyl)ethoxy]quinazoline?
The InChIKey is XQYWVYIGKCVHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O2/c23-20-11-5-10-19-21(20)24-15-25-22(19)26-13-12-16-6-4-9-18(14-16)27-17-7-2-1-3-8-17/h1-11,14-15H,12-13H2.
What are the key properties of 8-fluoro-4-[2-(3-phenoxyphenyl)ethoxy]quinazoline?
8-fluoro-4-[2-(3-phenoxyphenyl)ethoxy]quinazoline has a molecular weight of 360.39 g/mol, XLogP of 5.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-[2-(3-phenoxyphenyl)ethoxy]quinazoline is sourced from PubChem (CID 23196614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).