5-bromo-1-methyl-3,4-dihydroquinazolin-2-one

C9H9BrN2O — CID 124926639

IUPAC5-bromo-1-methyl-3,4-dihydroquinazolin-2-one
SMILESCN1C(=O)NCc2c(Br)cccc21
InChIInChI=1S/C9H9BrN2O/c1-12-8-4-2-3-7(10)6(8)5-11-9(12)13/h2-4H,5H2,1H3,(H,11,13)
InChIKeyKJXGOYQFJJTDSS-UHFFFAOYSA-N
MW241.09 g/mol
LogP2.11
Rot. Bonds

About 5-bromo-1-methyl-3,4-dihydroquinazolin-2-one

5-bromo-1-methyl-3,4-dihydroquinazolin-2-one (PubChem CID 124926639) has the molecular formula C9H9BrN2O and a molecular weight of 241.09 g/mol. Its IUPAC name is 5-bromo-1-methyl-3,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name5-bromo-1-methyl-3,4-dihydroquinazolin-2-one
PubChem CID124926639
Molecular FormulaC9H9BrN2O
Molecular Weight241.09 g/mol
Exact Mass239.99
IUPAC Name5-bromo-1-methyl-3,4-dihydroquinazolin-2-one
SMILESCN1C(=O)NCc2c(Br)cccc21
InChIInChI=1S/C9H9BrN2O/c1-12-8-4-2-3-7(10)6(8)5-11-9(12)13/h2-4H,5H2,1H3,(H,11,13)
InChIKeyKJXGOYQFJJTDSS-UHFFFAOYSA-N
XLogP2.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methyl-3,4-dihydroquinazolin-2-one?
The IUPAC name of 5-bromo-1-methyl-3,4-dihydroquinazolin-2-one (CID 124926639) is 5-bromo-1-methyl-3,4-dihydroquinazolin-2-one.
What is the SMILES notation for 5-bromo-1-methyl-3,4-dihydroquinazolin-2-one?
The canonical SMILES for 5-bromo-1-methyl-3,4-dihydroquinazolin-2-one is CN1C(=O)NCc2c(Br)cccc21.
What is the InChIKey of 5-bromo-1-methyl-3,4-dihydroquinazolin-2-one?
The InChIKey is KJXGOYQFJJTDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O/c1-12-8-4-2-3-7(10)6(8)5-11-9(12)13/h2-4H,5H2,1H3,(H,11,13).
What are the key properties of 5-bromo-1-methyl-3,4-dihydroquinazolin-2-one?
5-bromo-1-methyl-3,4-dihydroquinazolin-2-one has a molecular weight of 241.09 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methyl-3,4-dihydroquinazolin-2-one is sourced from PubChem (CID 124926639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).