5-bromo-4-chloro-8-methylquinazoline

C9H6BrClN2 — CID 104782240

IUPAC5-bromo-4-chloro-8-methylquinazoline
SMILESCc1ccc(Br)c2c(Cl)ncnc12
InChIInChI=1S/C9H6BrClN2/c1-5-2-3-6(10)7-8(5)12-4-13-9(7)11/h2-4H,1H3
InChIKeyMURHMMSMZKALFS-UHFFFAOYSA-N
MW257.52 g/mol
LogP3.35
Rot. Bonds

About 5-bromo-4-chloro-8-methylquinazoline

5-bromo-4-chloro-8-methylquinazoline (PubChem CID 104782240) has the molecular formula C9H6BrClN2 and a molecular weight of 257.52 g/mol. Its IUPAC name is 5-bromo-4-chloro-8-methylquinazoline.

Molecular Properties

Compound Name5-bromo-4-chloro-8-methylquinazoline
PubChem CID104782240
Molecular FormulaC9H6BrClN2
Molecular Weight257.52 g/mol
Exact Mass255.94
IUPAC Name5-bromo-4-chloro-8-methylquinazoline
SMILESCc1ccc(Br)c2c(Cl)ncnc12
InChIInChI=1S/C9H6BrClN2/c1-5-2-3-6(10)7-8(5)12-4-13-9(7)11/h2-4H,1H3
InChIKeyMURHMMSMZKALFS-UHFFFAOYSA-N
XLogP3.35
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.52
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-3,4-dichloro-8-methylquinoline
CID 114759791
4-chloro-8-fluoro-5-methylquinazoline
CID 104782222
5-bromo-4-chloro-3-iodo-8-methylquinoline
CID 102614183
5-bromo-1-chloro-8-methylisoquinoline
CID 82571489
8-bromo-4-chloro-2,5-dimethylquinazoline
CID 134691884
5-bromo-8-methylquinoline-4-carboxylic acid
CID 165460211
4,6-dibromo-5-chloro-8-methylquinoline
CID 164661313
5-bromo-4-chloro-2-(2-ethylphenyl)-8-methylquinazoline
CID 114591241
4-chloro-5,6,7,8-tetrafluoroquinazoline
CID 34179176
5-bromo-4-chloro-2-(3-ethylthiophen-2-yl)-8-methylquinazoline
CID 114591231
N-(4-bromo-3-methylphenyl)-6-chloro-5-methylpyrimidin-4-amine
CID 55229097
6-bromo-4-chloro-7-methylthieno[3,2-d]pyrimidine
CID 130115245

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-8-methylquinazoline?
The IUPAC name of 5-bromo-4-chloro-8-methylquinazoline (CID 104782240) is 5-bromo-4-chloro-8-methylquinazoline.
What is the SMILES notation for 5-bromo-4-chloro-8-methylquinazoline?
The canonical SMILES for 5-bromo-4-chloro-8-methylquinazoline is Cc1ccc(Br)c2c(Cl)ncnc12.
What is the InChIKey of 5-bromo-4-chloro-8-methylquinazoline?
The InChIKey is MURHMMSMZKALFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN2/c1-5-2-3-6(10)7-8(5)12-4-13-9(7)11/h2-4H,1H3.
What are the key properties of 5-bromo-4-chloro-8-methylquinazoline?
5-bromo-4-chloro-8-methylquinazoline has a molecular weight of 257.52 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-8-methylquinazoline is sourced from PubChem (CID 104782240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).