4-(4-bromo-3-fluorophenoxy)-6,7-dimethoxyquinazoline

C16H12BrFN2O3 — CID 52947210

IUPAC4-(4-bromo-3-fluorophenoxy)-6,7-dimethoxyquinazoline
SMILESCOc1cc2ncnc(Oc3ccc(Br)c(F)c3)c2cc1OC
InChIInChI=1S/C16H12BrFN2O3/c1-21-14-6-10-13(7-15(14)22-2)19-8-20-16(10)23-9-3-4-11(17)12(18)5-9/h3-8H,1-2H3
InChIKeyDPDKUWBKXGAVEC-UHFFFAOYSA-N
MW379.19 g/mol
LogP4.34
Rot. Bonds4

About 4-(4-bromo-3-fluorophenoxy)-6,7-dimethoxyquinazoline

4-(4-bromo-3-fluorophenoxy)-6,7-dimethoxyquinazoline (PubChem CID 52947210) has the molecular formula C16H12BrFN2O3 and a molecular weight of 379.19 g/mol. Its IUPAC name is 4-(4-bromo-3-fluorophenoxy)-6,7-dimethoxyquinazoline.

Molecular Properties

Compound Name4-(4-bromo-3-fluorophenoxy)-6,7-dimethoxyquinazoline
PubChem CID52947210
Molecular FormulaC16H12BrFN2O3
Molecular Weight379.19 g/mol
Exact Mass378.00
IUPAC Name4-(4-bromo-3-fluorophenoxy)-6,7-dimethoxyquinazoline
SMILESCOc1cc2ncnc(Oc3ccc(Br)c(F)c3)c2cc1OC
InChIInChI=1S/C16H12BrFN2O3/c1-21-14-6-10-13(7-15(14)22-2)19-8-20-16(10)23-9-3-4-11(17)12(18)5-9/h3-8H,1-2H3
InChIKeyDPDKUWBKXGAVEC-UHFFFAOYSA-N
XLogP4.34
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.19
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3-fluorophenoxy)-6,7-dimethoxyquinazoline?
The IUPAC name of 4-(4-bromo-3-fluorophenoxy)-6,7-dimethoxyquinazoline (CID 52947210) is 4-(4-bromo-3-fluorophenoxy)-6,7-dimethoxyquinazoline.
What is the SMILES notation for 4-(4-bromo-3-fluorophenoxy)-6,7-dimethoxyquinazoline?
The canonical SMILES for 4-(4-bromo-3-fluorophenoxy)-6,7-dimethoxyquinazoline is COc1cc2ncnc(Oc3ccc(Br)c(F)c3)c2cc1OC.
What is the InChIKey of 4-(4-bromo-3-fluorophenoxy)-6,7-dimethoxyquinazoline?
The InChIKey is DPDKUWBKXGAVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN2O3/c1-21-14-6-10-13(7-15(14)22-2)19-8-20-16(10)23-9-3-4-11(17)12(18)5-9/h3-8H,1-2H3.
What are the key properties of 4-(4-bromo-3-fluorophenoxy)-6,7-dimethoxyquinazoline?
4-(4-bromo-3-fluorophenoxy)-6,7-dimethoxyquinazoline has a molecular weight of 379.19 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3-fluorophenoxy)-6,7-dimethoxyquinazoline is sourced from PubChem (CID 52947210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).