4-(4-bromo-2-fluorophenoxy)-6-methoxy-7-phenylmethoxyquinazoline

C22H16BrFN2O3 — CID 22649314

IUPAC4-(4-bromo-2-fluorophenoxy)-6-methoxy-7-phenylmethoxyquinazoline
SMILESCOc1cc2c(Oc3ccc(Br)cc3F)ncnc2cc1OCc1ccccc1
InChIInChI=1S/C22H16BrFN2O3/c1-27-20-10-16-18(11-21(20)28-12-14-5-3-2-4-6-14)25-13-26-22(16)29-19-8-7-15(23)9-17(19)24/h2-11,13H,12H2,1H3
InChIKeyLCOOLVCXAIZNBD-UHFFFAOYSA-N
MW455.28 g/mol
LogP5.91
Rot. Bonds6

About 4-(4-bromo-2-fluorophenoxy)-6-methoxy-7-phenylmethoxyquinazoline

4-(4-bromo-2-fluorophenoxy)-6-methoxy-7-phenylmethoxyquinazoline (PubChem CID 22649314) has the molecular formula C22H16BrFN2O3 and a molecular weight of 455.28 g/mol. Its IUPAC name is 4-(4-bromo-2-fluorophenoxy)-6-methoxy-7-phenylmethoxyquinazoline.

Molecular Properties

Compound Name4-(4-bromo-2-fluorophenoxy)-6-methoxy-7-phenylmethoxyquinazoline
PubChem CID22649314
Molecular FormulaC22H16BrFN2O3
Molecular Weight455.28 g/mol
Exact Mass454.03
IUPAC Name4-(4-bromo-2-fluorophenoxy)-6-methoxy-7-phenylmethoxyquinazoline
SMILESCOc1cc2c(Oc3ccc(Br)cc3F)ncnc2cc1OCc1ccccc1
InChIInChI=1S/C22H16BrFN2O3/c1-27-20-10-16-18(11-21(20)28-12-14-5-3-2-4-6-14)25-13-26-22(16)29-19-8-7-15(23)9-17(19)24/h2-11,13H,12H2,1H3
InChIKeyLCOOLVCXAIZNBD-UHFFFAOYSA-N
XLogP5.91
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.28
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-fluorophenoxy)-6-methoxy-7-phenylmethoxyquinazoline?
The IUPAC name of 4-(4-bromo-2-fluorophenoxy)-6-methoxy-7-phenylmethoxyquinazoline (CID 22649314) is 4-(4-bromo-2-fluorophenoxy)-6-methoxy-7-phenylmethoxyquinazoline.
What is the SMILES notation for 4-(4-bromo-2-fluorophenoxy)-6-methoxy-7-phenylmethoxyquinazoline?
The canonical SMILES for 4-(4-bromo-2-fluorophenoxy)-6-methoxy-7-phenylmethoxyquinazoline is COc1cc2c(Oc3ccc(Br)cc3F)ncnc2cc1OCc1ccccc1.
What is the InChIKey of 4-(4-bromo-2-fluorophenoxy)-6-methoxy-7-phenylmethoxyquinazoline?
The InChIKey is LCOOLVCXAIZNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrFN2O3/c1-27-20-10-16-18(11-21(20)28-12-14-5-3-2-4-6-14)25-13-26-22(16)29-19-8-7-15(23)9-17(19)24/h2-11,13H,12H2,1H3.
What are the key properties of 4-(4-bromo-2-fluorophenoxy)-6-methoxy-7-phenylmethoxyquinazoline?
4-(4-bromo-2-fluorophenoxy)-6-methoxy-7-phenylmethoxyquinazoline has a molecular weight of 455.28 g/mol, XLogP of 5.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-fluorophenoxy)-6-methoxy-7-phenylmethoxyquinazoline is sourced from PubChem (CID 22649314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).