4-[2-[3-(4-chlorophenoxy)phenyl]ethoxy]-8-fluoroquinazoline

C22H16ClFN2O2 — CID 67837979

IUPAC4-[2-[3-(4-chlorophenoxy)phenyl]ethoxy]-8-fluoroquinazoline
SMILESFc1cccc2c(OCCc3cccc(Oc4ccc(Cl)cc4)c3)ncnc12
InChIInChI=1S/C22H16ClFN2O2/c23-16-7-9-17(10-8-16)28-18-4-1-3-15(13-18)11-12-27-22-19-5-2-6-20(24)21(19)25-14-26-22/h1-10,13-14H,11-12H2
InChIKeyMZZLWVZGUWJXLY-UHFFFAOYSA-N
MW394.83 g/mol
LogP5.84
Rot. Bonds6

About 4-[2-[3-(4-chlorophenoxy)phenyl]ethoxy]-8-fluoroquinazoline

4-[2-[3-(4-chlorophenoxy)phenyl]ethoxy]-8-fluoroquinazoline (PubChem CID 67837979) has the molecular formula C22H16ClFN2O2 and a molecular weight of 394.83 g/mol. Its IUPAC name is 4-[2-[3-(4-chlorophenoxy)phenyl]ethoxy]-8-fluoroquinazoline.

Molecular Properties

Compound Name4-[2-[3-(4-chlorophenoxy)phenyl]ethoxy]-8-fluoroquinazoline
PubChem CID67837979
Molecular FormulaC22H16ClFN2O2
Molecular Weight394.83 g/mol
Exact Mass394.09
IUPAC Name4-[2-[3-(4-chlorophenoxy)phenyl]ethoxy]-8-fluoroquinazoline
SMILESFc1cccc2c(OCCc3cccc(Oc4ccc(Cl)cc4)c3)ncnc12
InChIInChI=1S/C22H16ClFN2O2/c23-16-7-9-17(10-8-16)28-18-4-1-3-15(13-18)11-12-27-22-19-5-2-6-20(24)21(19)25-14-26-22/h1-10,13-14H,11-12H2
InChIKeyMZZLWVZGUWJXLY-UHFFFAOYSA-N
XLogP5.84
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.83
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[2-[3-(4-chlorophenoxy)phenyl]ethoxy]-8-fluoroquinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-fluoro-4-[2-(3-phenoxyphenyl)ethoxy]quinazoline
CID 23196614
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
O-[3-[3-(4-chlorophenoxy)phenyl]propyl]hydroxylamine
CID 70328093
8-fluoro-4-(4-pyrazol-1-ylphenoxy)quinazoline
CID 154754655
2-[3-(3,4-difluorophenoxy)phenyl]ethanamine
CID 63941961
1-fluoro-4-(3-propylphenoxy)benzene
CID 54416846
2-[3-(3-chlorophenoxy)phenyl]ethanamine
CID 63943128
1-fluoro-4-[3-(6-phenylhexyl)phenoxy]benzene
CID 58531395
1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
CID 3046200
1-chloro-4-[6-[3-(4-fluorophenoxy)phenyl]-3-methylhex-1-yn-3-yl]benzene
CID 88645740

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(4-chlorophenoxy)phenyl]ethoxy]-8-fluoroquinazoline?
The IUPAC name of 4-[2-[3-(4-chlorophenoxy)phenyl]ethoxy]-8-fluoroquinazoline (CID 67837979) is 4-[2-[3-(4-chlorophenoxy)phenyl]ethoxy]-8-fluoroquinazoline.
What is the SMILES notation for 4-[2-[3-(4-chlorophenoxy)phenyl]ethoxy]-8-fluoroquinazoline?
The canonical SMILES for 4-[2-[3-(4-chlorophenoxy)phenyl]ethoxy]-8-fluoroquinazoline is Fc1cccc2c(OCCc3cccc(Oc4ccc(Cl)cc4)c3)ncnc12.
What is the InChIKey of 4-[2-[3-(4-chlorophenoxy)phenyl]ethoxy]-8-fluoroquinazoline?
The InChIKey is MZZLWVZGUWJXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClFN2O2/c23-16-7-9-17(10-8-16)28-18-4-1-3-15(13-18)11-12-27-22-19-5-2-6-20(24)21(19)25-14-26-22/h1-10,13-14H,11-12H2.
What are the key properties of 4-[2-[3-(4-chlorophenoxy)phenyl]ethoxy]-8-fluoroquinazoline?
4-[2-[3-(4-chlorophenoxy)phenyl]ethoxy]-8-fluoroquinazoline has a molecular weight of 394.83 g/mol, XLogP of 5.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(4-chlorophenoxy)phenyl]ethoxy]-8-fluoroquinazoline is sourced from PubChem (CID 67837979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).