2-bromo-6-methoxy-4-methylquinazoline

C10H9BrN2O — CID 84804344

IUPAC2-bromo-6-methoxy-4-methylquinazoline
SMILESCOc1ccc2nc(Br)nc(C)c2c1
InChIInChI=1S/C10H9BrN2O/c1-6-8-5-7(14-2)3-4-9(8)13-10(11)12-6/h3-5H,1-2H3
InChIKeyIMMAYVGECHYMKL-UHFFFAOYSA-N
MW253.10 g/mol
LogP2.71
Rot. Bonds1

About 2-bromo-6-methoxy-4-methylquinazoline

2-bromo-6-methoxy-4-methylquinazoline (PubChem CID 84804344) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is 2-bromo-6-methoxy-4-methylquinazoline.

Molecular Properties

Compound Name2-bromo-6-methoxy-4-methylquinazoline
PubChem CID84804344
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC Name2-bromo-6-methoxy-4-methylquinazoline
SMILESCOc1ccc2nc(Br)nc(C)c2c1
InChIInChI=1S/C10H9BrN2O/c1-6-8-5-7(14-2)3-4-9(8)13-10(11)12-6/h3-5H,1-2H3
InChIKeyIMMAYVGECHYMKL-UHFFFAOYSA-N
XLogP2.71
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methoxy-4-methylquinazoline?
The IUPAC name of 2-bromo-6-methoxy-4-methylquinazoline (CID 84804344) is 2-bromo-6-methoxy-4-methylquinazoline.
What is the SMILES notation for 2-bromo-6-methoxy-4-methylquinazoline?
The canonical SMILES for 2-bromo-6-methoxy-4-methylquinazoline is COc1ccc2nc(Br)nc(C)c2c1.
What is the InChIKey of 2-bromo-6-methoxy-4-methylquinazoline?
The InChIKey is IMMAYVGECHYMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O/c1-6-8-5-7(14-2)3-4-9(8)13-10(11)12-6/h3-5H,1-2H3.
What are the key properties of 2-bromo-6-methoxy-4-methylquinazoline?
2-bromo-6-methoxy-4-methylquinazoline has a molecular weight of 253.10 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methoxy-4-methylquinazoline is sourced from PubChem (CID 84804344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).