6-bromo-4-chloro-2-(3-chloro-5-methylphenyl)-7-fluoroquinazoline

C15H8BrCl2FN2 — CID 114591260

IUPAC6-bromo-4-chloro-2-(3-chloro-5-methylphenyl)-7-fluoroquinazoline
SMILESCc1cc(Cl)cc(-c2nc(Cl)c3cc(Br)c(F)cc3n2)c1
InChIInChI=1S/C15H8BrCl2FN2/c1-7-2-8(4-9(17)3-7)15-20-13-6-12(19)11(16)5-10(13)14(18)21-15/h2-6H,1H3
InChIKeyGMOMVYGUAPULSS-UHFFFAOYSA-N
MW386.05 g/mol
LogP5.81
Rot. Bonds1

About 6-bromo-4-chloro-2-(3-chloro-5-methylphenyl)-7-fluoroquinazoline

6-bromo-4-chloro-2-(3-chloro-5-methylphenyl)-7-fluoroquinazoline (PubChem CID 114591260) has the molecular formula C15H8BrCl2FN2 and a molecular weight of 386.05 g/mol. Its IUPAC name is 6-bromo-4-chloro-2-(3-chloro-5-methylphenyl)-7-fluoroquinazoline.

Molecular Properties

Compound Name6-bromo-4-chloro-2-(3-chloro-5-methylphenyl)-7-fluoroquinazoline
PubChem CID114591260
Molecular FormulaC15H8BrCl2FN2
Molecular Weight386.05 g/mol
Exact Mass383.92
IUPAC Name6-bromo-4-chloro-2-(3-chloro-5-methylphenyl)-7-fluoroquinazoline
SMILESCc1cc(Cl)cc(-c2nc(Cl)c3cc(Br)c(F)cc3n2)c1
InChIInChI=1S/C15H8BrCl2FN2/c1-7-2-8(4-9(17)3-7)15-20-13-6-12(19)11(16)5-10(13)14(18)21-15/h2-6H,1H3
InChIKeyGMOMVYGUAPULSS-UHFFFAOYSA-N
XLogP5.81
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.05
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-4-chloro-7-fluoro-2-(4-methylphenyl)quinazoline
CID 114591279
6-bromo-4-chloro-2-(3-chloro-5-methylphenyl)quinazoline
CID 81324003
4-chloro-7-fluoro-2-(3-fluoro-5-methylphenyl)-6-methylquinazoline
CID 114591652
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-2-(3-chlorophenyl)-6,7-difluoroquinazoline
CID 114590146
4-chloro-7-fluoro-6-methyl-2-phenylquinazoline
CID 114591614
2-(3-chloro-5-methylphenyl)-7-fluoro-N-methylquinazolin-4-amine
CID 81315844
4-chloro-2-(2,6-difluorophenyl)-7-fluoro-6-methylquinazoline
CID 114591658
4,6-dichloro-2-(3,5-difluorophenyl)quinazoline
CID 63085337
2-(3-chloro-5-methylphenyl)quinazolin-4-amine
CID 81324898
4-chloro-6-fluoro-2-(3-methylphenyl)quinazoline
CID 63084323

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloro-2-(3-chloro-5-methylphenyl)-7-fluoroquinazoline?
The IUPAC name of 6-bromo-4-chloro-2-(3-chloro-5-methylphenyl)-7-fluoroquinazoline (CID 114591260) is 6-bromo-4-chloro-2-(3-chloro-5-methylphenyl)-7-fluoroquinazoline.
What is the SMILES notation for 6-bromo-4-chloro-2-(3-chloro-5-methylphenyl)-7-fluoroquinazoline?
The canonical SMILES for 6-bromo-4-chloro-2-(3-chloro-5-methylphenyl)-7-fluoroquinazoline is Cc1cc(Cl)cc(-c2nc(Cl)c3cc(Br)c(F)cc3n2)c1.
What is the InChIKey of 6-bromo-4-chloro-2-(3-chloro-5-methylphenyl)-7-fluoroquinazoline?
The InChIKey is GMOMVYGUAPULSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrCl2FN2/c1-7-2-8(4-9(17)3-7)15-20-13-6-12(19)11(16)5-10(13)14(18)21-15/h2-6H,1H3.
What are the key properties of 6-bromo-4-chloro-2-(3-chloro-5-methylphenyl)-7-fluoroquinazoline?
6-bromo-4-chloro-2-(3-chloro-5-methylphenyl)-7-fluoroquinazoline has a molecular weight of 386.05 g/mol, XLogP of 5.81, 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-2-(3-chloro-5-methylphenyl)-7-fluoroquinazoline is sourced from PubChem (CID 114591260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).