6-bromo-4-chloro-2-(4-fluoro-3-methoxyphenyl)quinazoline

C15H9BrClFN2O — CID 81288093

IUPAC6-bromo-4-chloro-2-(4-fluoro-3-methoxyphenyl)quinazoline
SMILESCOc1cc(-c2nc(Cl)c3cc(Br)ccc3n2)ccc1F
InChIInChI=1S/C15H9BrClFN2O/c1-21-13-6-8(2-4-11(13)18)15-19-12-5-3-9(16)7-10(12)14(17)20-15/h2-7H,1H3
InChIKeyHUBBXIIWLVVIGK-UHFFFAOYSA-N
MW367.61 g/mol
LogP4.86
Rot. Bonds2

About 6-bromo-4-chloro-2-(4-fluoro-3-methoxyphenyl)quinazoline

6-bromo-4-chloro-2-(4-fluoro-3-methoxyphenyl)quinazoline (PubChem CID 81288093) has the molecular formula C15H9BrClFN2O and a molecular weight of 367.61 g/mol. Its IUPAC name is 6-bromo-4-chloro-2-(4-fluoro-3-methoxyphenyl)quinazoline.

Molecular Properties

Compound Name6-bromo-4-chloro-2-(4-fluoro-3-methoxyphenyl)quinazoline
PubChem CID81288093
Molecular FormulaC15H9BrClFN2O
Molecular Weight367.61 g/mol
Exact Mass365.96
IUPAC Name6-bromo-4-chloro-2-(4-fluoro-3-methoxyphenyl)quinazoline
SMILESCOc1cc(-c2nc(Cl)c3cc(Br)ccc3n2)ccc1F
InChIInChI=1S/C15H9BrClFN2O/c1-21-13-6-8(2-4-11(13)18)15-19-12-5-3-9(16)7-10(12)14(17)20-15/h2-7H,1H3
InChIKeyHUBBXIIWLVVIGK-UHFFFAOYSA-N
XLogP4.86
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.61
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloro-2-(4-fluoro-3-methoxyphenyl)quinazoline?
The IUPAC name of 6-bromo-4-chloro-2-(4-fluoro-3-methoxyphenyl)quinazoline (CID 81288093) is 6-bromo-4-chloro-2-(4-fluoro-3-methoxyphenyl)quinazoline.
What is the SMILES notation for 6-bromo-4-chloro-2-(4-fluoro-3-methoxyphenyl)quinazoline?
The canonical SMILES for 6-bromo-4-chloro-2-(4-fluoro-3-methoxyphenyl)quinazoline is COc1cc(-c2nc(Cl)c3cc(Br)ccc3n2)ccc1F.
What is the InChIKey of 6-bromo-4-chloro-2-(4-fluoro-3-methoxyphenyl)quinazoline?
The InChIKey is HUBBXIIWLVVIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClFN2O/c1-21-13-6-8(2-4-11(13)18)15-19-12-5-3-9(16)7-10(12)14(17)20-15/h2-7H,1H3.
What are the key properties of 6-bromo-4-chloro-2-(4-fluoro-3-methoxyphenyl)quinazoline?
6-bromo-4-chloro-2-(4-fluoro-3-methoxyphenyl)quinazoline has a molecular weight of 367.61 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-chloro-2-(4-fluoro-3-methoxyphenyl)quinazoline is sourced from PubChem (CID 81288093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).