6-bromo-4-[(3-fluoro-4-methoxyphenyl)methoxy]quinazoline

C16H12BrFN2O2 — CID 2400678

IUPAC6-bromo-4-[(3-fluoro-4-methoxyphenyl)methoxy]quinazoline
SMILESCOc1ccc(COc2ncnc3ccc(Br)cc23)cc1F
InChIInChI=1S/C16H12BrFN2O2/c1-21-15-5-2-10(6-13(15)18)8-22-16-12-7-11(17)3-4-14(12)19-9-20-16/h2-7,9H,8H2,1H3
InChIKeyYGFOZWFFDITVIM-UHFFFAOYSA-N
MW363.19 g/mol
LogP4.12
Rot. Bonds4

About 6-bromo-4-[(3-fluoro-4-methoxyphenyl)methoxy]quinazoline

6-bromo-4-[(3-fluoro-4-methoxyphenyl)methoxy]quinazoline (PubChem CID 2400678) has the molecular formula C16H12BrFN2O2 and a molecular weight of 363.19 g/mol. Its IUPAC name is 6-bromo-4-[(3-fluoro-4-methoxyphenyl)methoxy]quinazoline.

Molecular Properties

Compound Name6-bromo-4-[(3-fluoro-4-methoxyphenyl)methoxy]quinazoline
PubChem CID2400678
Molecular FormulaC16H12BrFN2O2
Molecular Weight363.19 g/mol
Exact Mass362.01
IUPAC Name6-bromo-4-[(3-fluoro-4-methoxyphenyl)methoxy]quinazoline
SMILESCOc1ccc(COc2ncnc3ccc(Br)cc23)cc1F
InChIInChI=1S/C16H12BrFN2O2/c1-21-15-5-2-10(6-13(15)18)8-22-16-12-7-11(17)3-4-14(12)19-9-20-16/h2-7,9H,8H2,1H3
InChIKeyYGFOZWFFDITVIM-UHFFFAOYSA-N
XLogP4.12
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.19
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-[(3-fluoro-4-methoxyphenyl)methoxy]quinazoline?
The IUPAC name of 6-bromo-4-[(3-fluoro-4-methoxyphenyl)methoxy]quinazoline (CID 2400678) is 6-bromo-4-[(3-fluoro-4-methoxyphenyl)methoxy]quinazoline.
What is the SMILES notation for 6-bromo-4-[(3-fluoro-4-methoxyphenyl)methoxy]quinazoline?
The canonical SMILES for 6-bromo-4-[(3-fluoro-4-methoxyphenyl)methoxy]quinazoline is COc1ccc(COc2ncnc3ccc(Br)cc23)cc1F.
What is the InChIKey of 6-bromo-4-[(3-fluoro-4-methoxyphenyl)methoxy]quinazoline?
The InChIKey is YGFOZWFFDITVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN2O2/c1-21-15-5-2-10(6-13(15)18)8-22-16-12-7-11(17)3-4-14(12)19-9-20-16/h2-7,9H,8H2,1H3.
What are the key properties of 6-bromo-4-[(3-fluoro-4-methoxyphenyl)methoxy]quinazoline?
6-bromo-4-[(3-fluoro-4-methoxyphenyl)methoxy]quinazoline has a molecular weight of 363.19 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-[(3-fluoro-4-methoxyphenyl)methoxy]quinazoline is sourced from PubChem (CID 2400678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).