6-bromo-4-chloro-2-(2-chloro-4-methylphenyl)-8-fluoroquinazoline

C15H8BrCl2FN2 — CID 106860939

IUPAC6-bromo-4-chloro-2-(2-chloro-4-methylphenyl)-8-fluoroquinazoline
SMILESCc1ccc(-c2nc(Cl)c3cc(Br)cc(F)c3n2)c(Cl)c1
InChIInChI=1S/C15H8BrCl2FN2/c1-7-2-3-9(11(17)4-7)15-20-13-10(14(18)21-15)5-8(16)6-12(13)19/h2-6H,1H3
InChIKeySRMSNZZYNZWCDK-UHFFFAOYSA-N
MW386.05 g/mol
LogP5.81
Rot. Bonds1

About 6-bromo-4-chloro-2-(2-chloro-4-methylphenyl)-8-fluoroquinazoline

6-bromo-4-chloro-2-(2-chloro-4-methylphenyl)-8-fluoroquinazoline (PubChem CID 106860939) has the molecular formula C15H8BrCl2FN2 and a molecular weight of 386.05 g/mol. Its IUPAC name is 6-bromo-4-chloro-2-(2-chloro-4-methylphenyl)-8-fluoroquinazoline.

Molecular Properties

Compound Name6-bromo-4-chloro-2-(2-chloro-4-methylphenyl)-8-fluoroquinazoline
PubChem CID106860939
Molecular FormulaC15H8BrCl2FN2
Molecular Weight386.05 g/mol
Exact Mass383.92
IUPAC Name6-bromo-4-chloro-2-(2-chloro-4-methylphenyl)-8-fluoroquinazoline
SMILESCc1ccc(-c2nc(Cl)c3cc(Br)cc(F)c3n2)c(Cl)c1
InChIInChI=1S/C15H8BrCl2FN2/c1-7-2-3-9(11(17)4-7)15-20-13-10(14(18)21-15)5-8(16)6-12(13)19/h2-6H,1H3
InChIKeySRMSNZZYNZWCDK-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

6,8-dibromo-4-chloro-2-(2,4-dimethylphenyl)quinazoline
CID 63497676
4-chloro-2-(2-chloro-4-methylphenyl)-8-methylquinazoline
CID 106860907
4-chloro-2-(2-chloro-4-methylphenyl)-5-fluoro-8-methylquinazoline
CID 106860924
4-chloro-2-(2-chloro-4-methylphenyl)quinazoline
CID 106860906
8-bromo-4-chloro-2-(2,4-dimethylphenyl)-6-methylquinazoline
CID 114589664
4,7-dichloro-2-(2-fluoro-4-methylphenyl)-8-methylquinazoline
CID 114589505
6,8-dibromo-4-chloro-2-(2-methylphenyl)quinazoline
CID 63497501
6,8-dibromo-4-chloro-2-(5-chloro-2-methylphenyl)quinazoline
CID 82870561
8-bromo-4-chloro-2-(3-chloro-2-fluorophenyl)-6-methylquinazoline
CID 114589644
2-(4-bromo-2-chlorophenyl)-4,6,8-trichloroquinazoline
CID 63496793
4,8-dichloro-2-(2,3-difluorophenyl)-6-methylquinazoline
CID 114590823
7-bromo-4-chloro-2-(2,4-dichlorophenyl)-8-methylquinazoline
CID 114591566

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloro-2-(2-chloro-4-methylphenyl)-8-fluoroquinazoline?
The IUPAC name of 6-bromo-4-chloro-2-(2-chloro-4-methylphenyl)-8-fluoroquinazoline (CID 106860939) is 6-bromo-4-chloro-2-(2-chloro-4-methylphenyl)-8-fluoroquinazoline.
What is the SMILES notation for 6-bromo-4-chloro-2-(2-chloro-4-methylphenyl)-8-fluoroquinazoline?
The canonical SMILES for 6-bromo-4-chloro-2-(2-chloro-4-methylphenyl)-8-fluoroquinazoline is Cc1ccc(-c2nc(Cl)c3cc(Br)cc(F)c3n2)c(Cl)c1.
What is the InChIKey of 6-bromo-4-chloro-2-(2-chloro-4-methylphenyl)-8-fluoroquinazoline?
The InChIKey is SRMSNZZYNZWCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrCl2FN2/c1-7-2-3-9(11(17)4-7)15-20-13-10(14(18)21-15)5-8(16)6-12(13)19/h2-6H,1H3.
What are the key properties of 6-bromo-4-chloro-2-(2-chloro-4-methylphenyl)-8-fluoroquinazoline?
6-bromo-4-chloro-2-(2-chloro-4-methylphenyl)-8-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-(2-chloro-4-methylphenyl)-8-fluoroquinazoline is sourced from PubChem (CID 106860939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).