6-bromo-4-chloro-7-fluoro-2-(4-methylphenyl)quinazoline

C15H9BrClFN2 — CID 114591279

IUPAC6-bromo-4-chloro-7-fluoro-2-(4-methylphenyl)quinazoline
SMILESCc1ccc(-c2nc(Cl)c3cc(Br)c(F)cc3n2)cc1
InChIInChI=1S/C15H9BrClFN2/c1-8-2-4-9(5-3-8)15-19-13-7-12(18)11(16)6-10(13)14(17)20-15/h2-7H,1H3
InChIKeyJHKADNKXLPOHQJ-UHFFFAOYSA-N
MW351.61 g/mol
LogP5.16
Rot. Bonds1

About 6-bromo-4-chloro-7-fluoro-2-(4-methylphenyl)quinazoline

6-bromo-4-chloro-7-fluoro-2-(4-methylphenyl)quinazoline (PubChem CID 114591279) has the molecular formula C15H9BrClFN2 and a molecular weight of 351.61 g/mol. Its IUPAC name is 6-bromo-4-chloro-7-fluoro-2-(4-methylphenyl)quinazoline.

Molecular Properties

Compound Name6-bromo-4-chloro-7-fluoro-2-(4-methylphenyl)quinazoline
PubChem CID114591279
Molecular FormulaC15H9BrClFN2
Molecular Weight351.61 g/mol
Exact Mass349.96
IUPAC Name6-bromo-4-chloro-7-fluoro-2-(4-methylphenyl)quinazoline
SMILESCc1ccc(-c2nc(Cl)c3cc(Br)c(F)cc3n2)cc1
InChIInChI=1S/C15H9BrClFN2/c1-8-2-4-9(5-3-8)15-19-13-7-12(18)11(16)6-10(13)14(17)20-15/h2-7H,1H3
InChIKeyJHKADNKXLPOHQJ-UHFFFAOYSA-N
XLogP5.16
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.61
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-4-chloro-2-(3-chloro-5-methylphenyl)-7-fluoroquinazoline
CID 114591260
6-bromo-4-chloro-7-fluoro-2-(3-methoxyphenyl)quinazoline
CID 114591292
6-bromo-4-chloro-7-fluoro-2-(2-fluoro-3-methylphenyl)quinazoline
CID 114591270
4-chloro-7-fluoro-6-methyl-2-phenylquinazoline
CID 114591614
4-chloro-7-fluoro-2-(3-fluoro-5-methylphenyl)-6-methylquinazoline
CID 114591652
7-bromo-4-chloro-2-(4-fluorophenyl)quinazoline
CID 114590501
2-(4-bromophenyl)-4-chloro-7-fluoroquinazoline
CID 53249844
4,6-dichloro-5-fluoro-2-(4-methylphenyl)pyrimidine
CID 80550164
4-chloro-2-(4-chlorophenyl)-7-fluoroquinazoline
CID 53407921
4-chloro-2-(2,6-difluorophenyl)-7-fluoro-6-methylquinazoline
CID 114591658
4-chloro-2-(3-chlorophenyl)-6,7-difluoroquinazoline
CID 114590146
4-chloro-6-fluoro-2-(3-fluoro-4-methylphenyl)quinazoline
CID 63084490

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloro-7-fluoro-2-(4-methylphenyl)quinazoline?
The IUPAC name of 6-bromo-4-chloro-7-fluoro-2-(4-methylphenyl)quinazoline (CID 114591279) is 6-bromo-4-chloro-7-fluoro-2-(4-methylphenyl)quinazoline.
What is the SMILES notation for 6-bromo-4-chloro-7-fluoro-2-(4-methylphenyl)quinazoline?
The canonical SMILES for 6-bromo-4-chloro-7-fluoro-2-(4-methylphenyl)quinazoline is Cc1ccc(-c2nc(Cl)c3cc(Br)c(F)cc3n2)cc1.
What is the InChIKey of 6-bromo-4-chloro-7-fluoro-2-(4-methylphenyl)quinazoline?
The InChIKey is JHKADNKXLPOHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClFN2/c1-8-2-4-9(5-3-8)15-19-13-7-12(18)11(16)6-10(13)14(17)20-15/h2-7H,1H3.
What are the key properties of 6-bromo-4-chloro-7-fluoro-2-(4-methylphenyl)quinazoline?
6-bromo-4-chloro-7-fluoro-2-(4-methylphenyl)quinazoline has a molecular weight of 351.61 g/mol, XLogP of 5.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-chloro-7-fluoro-2-(4-methylphenyl)quinazoline is sourced from PubChem (CID 114591279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).