8-bromo-4-chloro-2-(2,3-difluorophenyl)-6-methylquinazoline

C15H8BrClF2N2 — CID 114589638

IUPAC8-bromo-4-chloro-2-(2,3-difluorophenyl)-6-methylquinazoline
SMILESCc1cc(Br)c2nc(-c3cccc(F)c3F)nc(Cl)c2c1
InChIInChI=1S/C15H8BrClF2N2/c1-7-5-9-13(10(16)6-7)20-15(21-14(9)17)8-3-2-4-11(18)12(8)19/h2-6H,1H3
InChIKeyGPPHAKYMDCGTIY-UHFFFAOYSA-N
MW369.60 g/mol
LogP5.30
Rot. Bonds1

About 8-bromo-4-chloro-2-(2,3-difluorophenyl)-6-methylquinazoline

8-bromo-4-chloro-2-(2,3-difluorophenyl)-6-methylquinazoline (PubChem CID 114589638) has the molecular formula C15H8BrClF2N2 and a molecular weight of 369.60 g/mol. Its IUPAC name is 8-bromo-4-chloro-2-(2,3-difluorophenyl)-6-methylquinazoline.

Molecular Properties

Compound Name8-bromo-4-chloro-2-(2,3-difluorophenyl)-6-methylquinazoline
PubChem CID114589638
Molecular FormulaC15H8BrClF2N2
Molecular Weight369.60 g/mol
Exact Mass367.95
IUPAC Name8-bromo-4-chloro-2-(2,3-difluorophenyl)-6-methylquinazoline
SMILESCc1cc(Br)c2nc(-c3cccc(F)c3F)nc(Cl)c2c1
InChIInChI=1S/C15H8BrClF2N2/c1-7-5-9-13(10(16)6-7)20-15(21-14(9)17)8-3-2-4-11(18)12(8)19/h2-6H,1H3
InChIKeyGPPHAKYMDCGTIY-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

8-bromo-4-chloro-2-(3-chloro-2-fluorophenyl)-6-methylquinazoline
CID 114589644
4,8-dichloro-2-(2,3-difluorophenyl)-6-methylquinazoline
CID 114590823
8-bromo-4-chloro-2-(2,4-dimethylphenyl)-6-methylquinazoline
CID 114589664
6-bromo-4-chloro-7-fluoro-2-(2-fluoro-3-methylphenyl)quinazoline
CID 114591270
4,8-dichloro-2-(2,3-difluorophenyl)-5-methylquinazoline
CID 114591679
6,8-dibromo-4-chloro-2-(2-methylphenyl)quinazoline
CID 63497501
6,8-dibromo-4-chloro-2-(2,4-dimethylphenyl)quinazoline
CID 63497676
8-bromo-4-chloro-2-(2,4-difluorophenyl)quinazoline
CID 114590744
6-bromo-4-chloro-2-(2-chloro-4-methylphenyl)-8-fluoroquinazoline
CID 106860939
4-chloro-2-(2-chloro-3-fluorophenyl)-8-methylquinazoline
CID 81453930
4-chloro-2-(4-fluoro-2-methylphenyl)-6,8-dimethylquinazoline
CID 114590385
6,8-dibromo-4-chloro-2-(5-chloro-2-methylphenyl)quinazoline
CID 82870561

Frequently Asked Questions

What is the IUPAC name of 8-bromo-4-chloro-2-(2,3-difluorophenyl)-6-methylquinazoline?
The IUPAC name of 8-bromo-4-chloro-2-(2,3-difluorophenyl)-6-methylquinazoline (CID 114589638) is 8-bromo-4-chloro-2-(2,3-difluorophenyl)-6-methylquinazoline.
What is the SMILES notation for 8-bromo-4-chloro-2-(2,3-difluorophenyl)-6-methylquinazoline?
The canonical SMILES for 8-bromo-4-chloro-2-(2,3-difluorophenyl)-6-methylquinazoline is Cc1cc(Br)c2nc(-c3cccc(F)c3F)nc(Cl)c2c1.
What is the InChIKey of 8-bromo-4-chloro-2-(2,3-difluorophenyl)-6-methylquinazoline?
The InChIKey is GPPHAKYMDCGTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrClF2N2/c1-7-5-9-13(10(16)6-7)20-15(21-14(9)17)8-3-2-4-11(18)12(8)19/h2-6H,1H3.
What are the key properties of 8-bromo-4-chloro-2-(2,3-difluorophenyl)-6-methylquinazoline?
8-bromo-4-chloro-2-(2,3-difluorophenyl)-6-methylquinazoline 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 8-bromo-4-chloro-2-(2,3-difluorophenyl)-6-methylquinazoline is sourced from PubChem (CID 114589638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).