8-bromo-4-chloro-2-(2,4-dimethylphenyl)-6-methylquinazoline

C17H14BrClN2 — CID 114589664

IUPAC8-bromo-4-chloro-2-(2,4-dimethylphenyl)-6-methylquinazoline
SMILESCc1ccc(-c2nc(Cl)c3cc(C)cc(Br)c3n2)c(C)c1
InChIInChI=1S/C17H14BrClN2/c1-9-4-5-12(11(3)6-9)17-20-15-13(16(19)21-17)7-10(2)8-14(15)18/h4-8H,1-3H3
InChIKeyZRCNCBRSGVTFBW-UHFFFAOYSA-N
MW361.67 g/mol
LogP5.64
Rot. Bonds1

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

8-bromo-4-chloro-2-(2,4-dimethylphenyl)-6-methylquinazoline (PubChem CID 114589664) has the molecular formula C17H14BrClN2 and a molecular weight of 361.67 g/mol. Its IUPAC name is 8-bromo-4-chloro-2-(2,4-dimethylphenyl)-6-methylquinazoline.

Molecular Properties

Compound Name8-bromo-4-chloro-2-(2,4-dimethylphenyl)-6-methylquinazoline
PubChem CID114589664
Molecular FormulaC17H14BrClN2
Molecular Weight361.67 g/mol
Exact Mass360.00
IUPAC Name8-bromo-4-chloro-2-(2,4-dimethylphenyl)-6-methylquinazoline
SMILESCc1ccc(-c2nc(Cl)c3cc(C)cc(Br)c3n2)c(C)c1
InChIInChI=1S/C17H14BrClN2/c1-9-4-5-12(11(3)6-9)17-20-15-13(16(19)21-17)7-10(2)8-14(15)18/h4-8H,1-3H3
InChIKeyZRCNCBRSGVTFBW-UHFFFAOYSA-N
XLogP5.64
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.67
LogP ≤ 55.64
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
8-bromo-4-chloro-2-(2,3-difluorophenyl)-6-methylquinazoline
CID 114589638
4-chloro-2-(4-fluoro-2-methylphenyl)-6,8-dimethylquinazoline
CID 114590385
8-bromo-4-chloro-2-(3-chloro-2-fluorophenyl)-6-methylquinazoline
CID 114589644
6,8-dibromo-4-chloro-2-(2-methylphenyl)quinazoline
CID 63497501
4-chloro-2-(2,4-dimethylphenyl)quinazoline
CID 29293283
4-chloro-2-(2,4-dimethylphenyl)-8-ethylquinazoline
CID 114591032
6-bromo-4-chloro-2-(2-chloro-4-methylphenyl)-8-fluoroquinazoline
CID 106860939
6,8-dibromo-4-chloro-2-(5-chloro-2-methylphenyl)quinazoline
CID 82870561
4-chloro-2-(2-chloro-4-methylphenyl)-8-methylquinazoline
CID 106860907
5-bromo-4-chloro-2-(2,4-dimethylphenyl)-6-ethylpyrimidine
CID 66313232
4-chloro-2-(2,4-dimethylphenyl)-5-fluoroquinazoline
CID 114590238

Frequently Asked Questions

What is the IUPAC name of 8-bromo-4-chloro-2-(2,4-dimethylphenyl)-6-methylquinazoline?
The IUPAC name of 8-bromo-4-chloro-2-(2,4-dimethylphenyl)-6-methylquinazoline (CID 114589664) is 8-bromo-4-chloro-2-(2,4-dimethylphenyl)-6-methylquinazoline.
What is the SMILES notation for 8-bromo-4-chloro-2-(2,4-dimethylphenyl)-6-methylquinazoline?
The canonical SMILES for 8-bromo-4-chloro-2-(2,4-dimethylphenyl)-6-methylquinazoline is Cc1ccc(-c2nc(Cl)c3cc(C)cc(Br)c3n2)c(C)c1.
What is the InChIKey of 8-bromo-4-chloro-2-(2,4-dimethylphenyl)-6-methylquinazoline?
The InChIKey is ZRCNCBRSGVTFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrClN2/c1-9-4-5-12(11(3)6-9)17-20-15-13(16(19)21-17)7-10(2)8-14(15)18/h4-8H,1-3H3.
What are the key properties of 8-bromo-4-chloro-2-(2,4-dimethylphenyl)-6-methylquinazoline?
8-bromo-4-chloro-2-(2,4-dimethylphenyl)-6-methylquinazoline has a molecular weight of 361.67 g/mol, XLogP of 5.64, 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-(2,4-dimethylphenyl)-6-methylquinazoline is sourced from PubChem (CID 114589664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).