7-bromo-4-chloro-2-(2-chloro-3-methylphenyl)-8-methylquinazoline

C16H11BrCl2N2 — CID 114591569

IUPAC7-bromo-4-chloro-2-(2-chloro-3-methylphenyl)-8-methylquinazoline
SMILESCc1cccc(-c2nc(Cl)c3ccc(Br)c(C)c3n2)c1Cl
InChIInChI=1S/C16H11BrCl2N2/c1-8-4-3-5-10(13(8)18)16-20-14-9(2)12(17)7-6-11(14)15(19)21-16/h3-7H,1-2H3
InChIKeyMYKSSCYTKQEUCP-UHFFFAOYSA-N
MW382.09 g/mol
LogP5.98
Rot. Bonds1

About 7-bromo-4-chloro-2-(2-chloro-3-methylphenyl)-8-methylquinazoline

7-bromo-4-chloro-2-(2-chloro-3-methylphenyl)-8-methylquinazoline (PubChem CID 114591569) has the molecular formula C16H11BrCl2N2 and a molecular weight of 382.09 g/mol. Its IUPAC name is 7-bromo-4-chloro-2-(2-chloro-3-methylphenyl)-8-methylquinazoline.

Molecular Properties

Compound Name7-bromo-4-chloro-2-(2-chloro-3-methylphenyl)-8-methylquinazoline
PubChem CID114591569
Molecular FormulaC16H11BrCl2N2
Molecular Weight382.09 g/mol
Exact Mass379.95
IUPAC Name7-bromo-4-chloro-2-(2-chloro-3-methylphenyl)-8-methylquinazoline
SMILESCc1cccc(-c2nc(Cl)c3ccc(Br)c(C)c3n2)c1Cl
InChIInChI=1S/C16H11BrCl2N2/c1-8-4-3-5-10(13(8)18)16-20-14-9(2)12(17)7-6-11(14)15(19)21-16/h3-7H,1-2H3
InChIKeyMYKSSCYTKQEUCP-UHFFFAOYSA-N
XLogP5.98
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.09
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-4-chloro-2-(2,4-dichlorophenyl)-8-methylquinazoline
CID 114591566
4-chloro-2-(2-chloro-3-fluorophenyl)-8-methylquinazoline
CID 81453930
7-bromo-4-chloro-2-(4-methoxyphenyl)-8-methylquinazoline
CID 114591533
6,8-dibromo-4-chloro-2-(2-methylphenyl)quinazoline
CID 63497501
7-bromo-4-chloro-8-methyl-2-thieno[3,2-b]thiophen-5-ylquinazoline
CID 114591559
6-bromo-4-chloro-7-fluoro-2-(2-fluoro-3-methylphenyl)quinazoline
CID 114591270
4-chloro-2-(2-methoxyphenyl)-8-methylquinazoline
CID 63086198
7-bromo-4-chloro-2-(3-chloro-2-methylphenyl)quinazoline
CID 107096293
8-bromo-4-chloro-2-(2,3-difluorophenyl)-6-methylquinazoline
CID 114589638
4-chloro-2-(2-chloro-4-methylphenyl)-8-methylquinazoline
CID 106860907
4-chloro-2-(2,3-dimethylphenyl)-6-methylquinazoline
CID 63496973
4-chloro-2-(2,3-dimethylphenyl)-7-methoxyquinazoline
CID 114590549

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-chloro-2-(2-chloro-3-methylphenyl)-8-methylquinazoline?
The IUPAC name of 7-bromo-4-chloro-2-(2-chloro-3-methylphenyl)-8-methylquinazoline (CID 114591569) is 7-bromo-4-chloro-2-(2-chloro-3-methylphenyl)-8-methylquinazoline.
What is the SMILES notation for 7-bromo-4-chloro-2-(2-chloro-3-methylphenyl)-8-methylquinazoline?
The canonical SMILES for 7-bromo-4-chloro-2-(2-chloro-3-methylphenyl)-8-methylquinazoline is Cc1cccc(-c2nc(Cl)c3ccc(Br)c(C)c3n2)c1Cl.
What is the InChIKey of 7-bromo-4-chloro-2-(2-chloro-3-methylphenyl)-8-methylquinazoline?
The InChIKey is MYKSSCYTKQEUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrCl2N2/c1-8-4-3-5-10(13(8)18)16-20-14-9(2)12(17)7-6-11(14)15(19)21-16/h3-7H,1-2H3.
What are the key properties of 7-bromo-4-chloro-2-(2-chloro-3-methylphenyl)-8-methylquinazoline?
7-bromo-4-chloro-2-(2-chloro-3-methylphenyl)-8-methylquinazoline has a molecular weight of 382.09 g/mol, XLogP of 5.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-chloro-2-(2-chloro-3-methylphenyl)-8-methylquinazoline is sourced from PubChem (CID 114591569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).