2-(5-bromo-2-chlorophenyl)-4-chloro-7-fluoro-8-methylquinazoline

C15H8BrCl2FN2 — CID 114591476

IUPAC2-(5-bromo-2-chlorophenyl)-4-chloro-7-fluoro-8-methylquinazoline
SMILESCc1c(F)ccc2c(Cl)nc(-c3cc(Br)ccc3Cl)nc12
InChIInChI=1S/C15H8BrCl2FN2/c1-7-12(19)5-3-9-13(7)20-15(21-14(9)18)10-6-8(16)2-4-11(10)17/h2-6H,1H3
InChIKeyDGWGVBKHECRTAT-UHFFFAOYSA-N
MW386.05 g/mol
LogP5.81
Rot. Bonds1

About 2-(5-bromo-2-chlorophenyl)-4-chloro-7-fluoro-8-methylquinazoline

2-(5-bromo-2-chlorophenyl)-4-chloro-7-fluoro-8-methylquinazoline (PubChem CID 114591476) has the molecular formula C15H8BrCl2FN2 and a molecular weight of 386.05 g/mol. Its IUPAC name is 2-(5-bromo-2-chlorophenyl)-4-chloro-7-fluoro-8-methylquinazoline.

Molecular Properties

Compound Name2-(5-bromo-2-chlorophenyl)-4-chloro-7-fluoro-8-methylquinazoline
PubChem CID114591476
Molecular FormulaC15H8BrCl2FN2
Molecular Weight386.05 g/mol
Exact Mass383.92
IUPAC Name2-(5-bromo-2-chlorophenyl)-4-chloro-7-fluoro-8-methylquinazoline
SMILESCc1c(F)ccc2c(Cl)nc(-c3cc(Br)ccc3Cl)nc12
InChIInChI=1S/C15H8BrCl2FN2/c1-7-12(19)5-3-9-13(7)20-15(21-14(9)18)10-6-8(16)2-4-11(10)17/h2-6H,1H3
InChIKeyDGWGVBKHECRTAT-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

2-(5-bromo-2-chlorophenyl)-4-chloro-8-fluoro-5-methylquinazoline
CID 114589983
2-(5-bromo-2-chlorophenyl)-4,6,8-trichloroquinazoline
CID 63496792
7-bromo-4-chloro-2-(2,4-dichlorophenyl)-8-methylquinazoline
CID 114591566
4,7-dichloro-2-(2-fluoro-4-methylphenyl)-8-methylquinazoline
CID 114589505
4-chloro-7-fluoro-8-methyl-2-(3-methylphenyl)quinazoline
CID 114591452
2-(5-bromo-2-chlorophenyl)-4-chloroquinazoline
CID 43378899
4-chloro-7-fluoro-2-(4-methoxyphenyl)-8-methylquinazoline
CID 114591446
4,7-dichloro-2-(3,5-difluorophenyl)-8-methylquinazoline
CID 114589521
2-(4-bromo-2-chlorophenyl)-4,6,8-trichloroquinazoline
CID 63496793
6-bromo-4-chloro-2-(2-chloro-4-methylphenyl)-8-fluoroquinazoline
CID 106860939
4,8-dichloro-2-(2,3-difluorophenyl)-6-methylquinazoline
CID 114590823
7-bromo-4-chloro-2-(3-chloro-2-methylphenyl)quinazoline
CID 107096293

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-chlorophenyl)-4-chloro-7-fluoro-8-methylquinazoline?
The IUPAC name of 2-(5-bromo-2-chlorophenyl)-4-chloro-7-fluoro-8-methylquinazoline (CID 114591476) is 2-(5-bromo-2-chlorophenyl)-4-chloro-7-fluoro-8-methylquinazoline.
What is the SMILES notation for 2-(5-bromo-2-chlorophenyl)-4-chloro-7-fluoro-8-methylquinazoline?
The canonical SMILES for 2-(5-bromo-2-chlorophenyl)-4-chloro-7-fluoro-8-methylquinazoline is Cc1c(F)ccc2c(Cl)nc(-c3cc(Br)ccc3Cl)nc12.
What is the InChIKey of 2-(5-bromo-2-chlorophenyl)-4-chloro-7-fluoro-8-methylquinazoline?
The InChIKey is DGWGVBKHECRTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrCl2FN2/c1-7-12(19)5-3-9-13(7)20-15(21-14(9)18)10-6-8(16)2-4-11(10)17/h2-6H,1H3.
What are the key properties of 2-(5-bromo-2-chlorophenyl)-4-chloro-7-fluoro-8-methylquinazoline?
2-(5-bromo-2-chlorophenyl)-4-chloro-7-fluoro-8-methylquinazoline 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 2-(5-bromo-2-chlorophenyl)-4-chloro-7-fluoro-8-methylquinazoline is sourced from PubChem (CID 114591476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).