6-bromo-4-chloro-2-(3-chloro-5-methylphenyl)quinazoline

C15H9BrCl2N2 — CID 81324003

IUPAC6-bromo-4-chloro-2-(3-chloro-5-methylphenyl)quinazoline
SMILESCc1cc(Cl)cc(-c2nc(Cl)c3cc(Br)ccc3n2)c1
InChIInChI=1S/C15H9BrCl2N2/c1-8-4-9(6-11(17)5-8)15-19-13-3-2-10(16)7-12(13)14(18)20-15/h2-7H,1H3
InChIKeyXMHSXKKTXAHPMT-UHFFFAOYSA-N
MW368.06 g/mol
LogP5.67
Rot. Bonds1

About 6-bromo-4-chloro-2-(3-chloro-5-methylphenyl)quinazoline

6-bromo-4-chloro-2-(3-chloro-5-methylphenyl)quinazoline (PubChem CID 81324003) has the molecular formula C15H9BrCl2N2 and a molecular weight of 368.06 g/mol. Its IUPAC name is 6-bromo-4-chloro-2-(3-chloro-5-methylphenyl)quinazoline.

Molecular Properties

Compound Name6-bromo-4-chloro-2-(3-chloro-5-methylphenyl)quinazoline
PubChem CID81324003
Molecular FormulaC15H9BrCl2N2
Molecular Weight368.06 g/mol
Exact Mass365.93
IUPAC Name6-bromo-4-chloro-2-(3-chloro-5-methylphenyl)quinazoline
SMILESCc1cc(Cl)cc(-c2nc(Cl)c3cc(Br)ccc3n2)c1
InChIInChI=1S/C15H9BrCl2N2/c1-8-4-9(6-11(17)5-8)15-19-13-3-2-10(16)7-12(13)14(18)20-15/h2-7H,1H3
InChIKeyXMHSXKKTXAHPMT-UHFFFAOYSA-N
XLogP5.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.06
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-4-chloro-2-(3-chloro-5-methylphenyl)-7-fluoroquinazoline
CID 114591260
6-bromo-4-chloro-2-(4-methylsulfanylphenyl)quinazoline
CID 79215585
6-bromo-4-chloro-2-(4-fluoro-3-methoxyphenyl)quinazoline
CID 81288093
2-(3-chloro-5-methylphenyl)quinazolin-4-amine
CID 81324898
4-chloro-6-fluoro-2-(3-methylphenyl)quinazoline
CID 63084323
4,6-dichloro-2-(3,5-difluorophenyl)quinazoline
CID 63085337
6-bromo-N-methyl-2-(3-methylphenyl)quinazolin-4-amine
CID 64981581
6-bromo-2,4-dichloro-3-(3-chlorophenyl)quinoline
CID 90101624
6-bromo-4-chloro-7-fluoro-2-(4-methylphenyl)quinazoline
CID 114591279
4-chloro-7-fluoro-2-(3-fluoro-5-methylphenyl)-6-methylquinazoline
CID 114591652
4-(7-bromo-4-chloroquinazolin-2-yl)-N,N-dimethylaniline
CID 114590522
4,6-dichloro-2-(4-propan-2-ylphenyl)quinazoline
CID 63496784

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloro-2-(3-chloro-5-methylphenyl)quinazoline?
The IUPAC name of 6-bromo-4-chloro-2-(3-chloro-5-methylphenyl)quinazoline (CID 81324003) is 6-bromo-4-chloro-2-(3-chloro-5-methylphenyl)quinazoline.
What is the SMILES notation for 6-bromo-4-chloro-2-(3-chloro-5-methylphenyl)quinazoline?
The canonical SMILES for 6-bromo-4-chloro-2-(3-chloro-5-methylphenyl)quinazoline is Cc1cc(Cl)cc(-c2nc(Cl)c3cc(Br)ccc3n2)c1.
What is the InChIKey of 6-bromo-4-chloro-2-(3-chloro-5-methylphenyl)quinazoline?
The InChIKey is XMHSXKKTXAHPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrCl2N2/c1-8-4-9(6-11(17)5-8)15-19-13-3-2-10(16)7-12(13)14(18)20-15/h2-7H,1H3.
What are the key properties of 6-bromo-4-chloro-2-(3-chloro-5-methylphenyl)quinazoline?
6-bromo-4-chloro-2-(3-chloro-5-methylphenyl)quinazoline has a molecular weight of 368.06 g/mol, XLogP of 5.67, 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-(3-chloro-5-methylphenyl)quinazoline is sourced from PubChem (CID 81324003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).