8-bromo-2,7-dimethyl-3H-quinazolin-4-one

C10H9BrN2O — CID 135894574

IUPAC8-bromo-2,7-dimethyl-3H-quinazolin-4-one
SMILESCc1nc2c(Br)c(C)ccc2c(=O)[nH]1
InChIInChI=1S/C10H9BrN2O/c1-5-3-4-7-9(8(5)11)12-6(2)13-10(7)14/h3-4H,1-2H3,(H,12,13,14)
InChIKeyLHWXKRNEHOEHGC-UHFFFAOYSA-N
MW253.10 g/mol
LogP2.30
Rot. Bonds

About 8-bromo-2,7-dimethyl-3H-quinazolin-4-one

8-bromo-2,7-dimethyl-3H-quinazolin-4-one (PubChem CID 135894574) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is 8-bromo-2,7-dimethyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name8-bromo-2,7-dimethyl-3H-quinazolin-4-one
PubChem CID135894574
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC Name8-bromo-2,7-dimethyl-3H-quinazolin-4-one
SMILESCc1nc2c(Br)c(C)ccc2c(=O)[nH]1
InChIInChI=1S/C10H9BrN2O/c1-5-3-4-7-9(8(5)11)12-6(2)13-10(7)14/h3-4H,1-2H3,(H,12,13,14)
InChIKeyLHWXKRNEHOEHGC-UHFFFAOYSA-N
XLogP2.30
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2,7-dimethyl-3H-quinazolin-4-one?
The IUPAC name of 8-bromo-2,7-dimethyl-3H-quinazolin-4-one (CID 135894574) is 8-bromo-2,7-dimethyl-3H-quinazolin-4-one.
What is the SMILES notation for 8-bromo-2,7-dimethyl-3H-quinazolin-4-one?
The canonical SMILES for 8-bromo-2,7-dimethyl-3H-quinazolin-4-one is Cc1nc2c(Br)c(C)ccc2c(=O)[nH]1.
What is the InChIKey of 8-bromo-2,7-dimethyl-3H-quinazolin-4-one?
The InChIKey is LHWXKRNEHOEHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O/c1-5-3-4-7-9(8(5)11)12-6(2)13-10(7)14/h3-4H,1-2H3,(H,12,13,14).
What are the key properties of 8-bromo-2,7-dimethyl-3H-quinazolin-4-one?
8-bromo-2,7-dimethyl-3H-quinazolin-4-one has a molecular weight of 253.10 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2,7-dimethyl-3H-quinazolin-4-one is sourced from PubChem (CID 135894574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).