6-bromo-4-chloro-7-fluoro-2-(2-fluoro-3-methylphenyl)quinazoline

C15H8BrClF2N2 — CID 114591270

IUPAC6-bromo-4-chloro-7-fluoro-2-(2-fluoro-3-methylphenyl)quinazoline
SMILESCc1cccc(-c2nc(Cl)c3cc(Br)c(F)cc3n2)c1F
InChIInChI=1S/C15H8BrClF2N2/c1-7-3-2-4-8(13(7)19)15-20-12-6-11(18)10(16)5-9(12)14(17)21-15/h2-6H,1H3
InChIKeyQHQDYDLDVKAFAW-UHFFFAOYSA-N
MW369.60 g/mol
LogP5.30
Rot. Bonds1

About 6-bromo-4-chloro-7-fluoro-2-(2-fluoro-3-methylphenyl)quinazoline

6-bromo-4-chloro-7-fluoro-2-(2-fluoro-3-methylphenyl)quinazoline (PubChem CID 114591270) has the molecular formula C15H8BrClF2N2 and a molecular weight of 369.60 g/mol. Its IUPAC name is 6-bromo-4-chloro-7-fluoro-2-(2-fluoro-3-methylphenyl)quinazoline.

Molecular Properties

Compound Name6-bromo-4-chloro-7-fluoro-2-(2-fluoro-3-methylphenyl)quinazoline
PubChem CID114591270
Molecular FormulaC15H8BrClF2N2
Molecular Weight369.60 g/mol
Exact Mass367.95
IUPAC Name6-bromo-4-chloro-7-fluoro-2-(2-fluoro-3-methylphenyl)quinazoline
SMILESCc1cccc(-c2nc(Cl)c3cc(Br)c(F)cc3n2)c1F
InChIInChI=1S/C15H8BrClF2N2/c1-7-3-2-4-8(13(7)19)15-20-12-6-11(18)10(16)5-9(12)14(17)21-15/h2-6H,1H3
InChIKeyQHQDYDLDVKAFAW-UHFFFAOYSA-N
XLogP5.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.60
LogP ≤ 55.30
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
4-chloro-6-ethyl-2-(2-fluoro-3-methylphenyl)quinazoline
CID 114590671
6-bromo-4-chloro-7-fluoro-2-(3-methoxyphenyl)quinazoline
CID 114591292
4-chloro-2-(2-chlorophenyl)-7-fluoro-6-methylquinazoline
CID 114591625
4-chloro-2-(2-fluoro-3-methylphenyl)-5-methylquinazoline
CID 81481875
6-bromo-4-chloro-2-(3-chloro-5-methylphenyl)-7-fluoroquinazoline
CID 114591260
8-bromo-4-chloro-2-(2,3-difluorophenyl)-6-methylquinazoline
CID 114589638
4-chloro-2-(2,6-difluorophenyl)-7-fluoro-6-methylquinazoline
CID 114591658
8-bromo-4-chloro-2-(3-chloro-2-fluorophenyl)-6-methylquinazoline
CID 114589644
4-chloro-7-fluoro-2-(2-methylphenyl)quinazoline
CID 63083992
4-chloro-7-fluoro-6-methyl-2-phenylquinazoline
CID 114591614
6,8-dibromo-4-chloro-2-(2-methylphenyl)quinazoline
CID 63497501

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloro-7-fluoro-2-(2-fluoro-3-methylphenyl)quinazoline?
The IUPAC name of 6-bromo-4-chloro-7-fluoro-2-(2-fluoro-3-methylphenyl)quinazoline (CID 114591270) is 6-bromo-4-chloro-7-fluoro-2-(2-fluoro-3-methylphenyl)quinazoline.
What is the SMILES notation for 6-bromo-4-chloro-7-fluoro-2-(2-fluoro-3-methylphenyl)quinazoline?
The canonical SMILES for 6-bromo-4-chloro-7-fluoro-2-(2-fluoro-3-methylphenyl)quinazoline is Cc1cccc(-c2nc(Cl)c3cc(Br)c(F)cc3n2)c1F.
What is the InChIKey of 6-bromo-4-chloro-7-fluoro-2-(2-fluoro-3-methylphenyl)quinazoline?
The InChIKey is QHQDYDLDVKAFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrClF2N2/c1-7-3-2-4-8(13(7)19)15-20-12-6-11(18)10(16)5-9(12)14(17)21-15/h2-6H,1H3.
What are the key properties of 6-bromo-4-chloro-7-fluoro-2-(2-fluoro-3-methylphenyl)quinazoline?
6-bromo-4-chloro-7-fluoro-2-(2-fluoro-3-methylphenyl)quinazoline has a molecular weight of 369.60 g/mol, XLogP of 5.30, 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-(2-fluoro-3-methylphenyl)quinazoline is sourced from PubChem (CID 114591270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).