7-bromo-2-methylquinazolin-5-ol

C9H7BrN2O — CID 139338417

IUPAC7-bromo-2-methylquinazolin-5-ol
SMILESCc1ncc2c(O)cc(Br)cc2n1
InChIInChI=1S/C9H7BrN2O/c1-5-11-4-7-8(12-5)2-6(10)3-9(7)13/h2-4,13H,1H3
InChIKeyDZXPWYXWUSHWJN-UHFFFAOYSA-N
MW239.07 g/mol
LogP2.41
Rot. Bonds

About 7-bromo-2-methylquinazolin-5-ol

7-bromo-2-methylquinazolin-5-ol (PubChem CID 139338417) has the molecular formula C9H7BrN2O and a molecular weight of 239.07 g/mol. Its IUPAC name is 7-bromo-2-methylquinazolin-5-ol.

Molecular Properties

Compound Name7-bromo-2-methylquinazolin-5-ol
PubChem CID139338417
Molecular FormulaC9H7BrN2O
Molecular Weight239.07 g/mol
Exact Mass237.97
IUPAC Name7-bromo-2-methylquinazolin-5-ol
SMILESCc1ncc2c(O)cc(Br)cc2n1
InChIInChI=1S/C9H7BrN2O/c1-5-11-4-7-8(12-5)2-6(10)3-9(7)13/h2-4,13H,1H3
InChIKeyDZXPWYXWUSHWJN-UHFFFAOYSA-N
XLogP2.41
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.07
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-methylquinazolin-5-ol?
The IUPAC name of 7-bromo-2-methylquinazolin-5-ol (CID 139338417) is 7-bromo-2-methylquinazolin-5-ol.
What is the SMILES notation for 7-bromo-2-methylquinazolin-5-ol?
The canonical SMILES for 7-bromo-2-methylquinazolin-5-ol is Cc1ncc2c(O)cc(Br)cc2n1.
What is the InChIKey of 7-bromo-2-methylquinazolin-5-ol?
The InChIKey is DZXPWYXWUSHWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O/c1-5-11-4-7-8(12-5)2-6(10)3-9(7)13/h2-4,13H,1H3.
What are the key properties of 7-bromo-2-methylquinazolin-5-ol?
7-bromo-2-methylquinazolin-5-ol has a molecular weight of 239.07 g/mol, XLogP of 2.41, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-methylquinazolin-5-ol is sourced from PubChem (CID 139338417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).