6-bromo-3-[2-(methylamino)ethyl]quinazolin-4-one

C11H12BrN3O — CID 62563754

IUPAC6-bromo-3-[2-(methylamino)ethyl]quinazolin-4-one
SMILESCNCCn1cnc2ccc(Br)cc2c1=O
InChIInChI=1S/C11H12BrN3O/c1-13-4-5-15-7-14-10-3-2-8(12)6-9(10)11(15)16/h2-3,6-7,13H,4-5H2,1H3
InChIKeyHJRIOXROUPJQJV-UHFFFAOYSA-N
MW282.14 g/mol
LogP1.38
Rot. Bonds3

About 6-bromo-3-[2-(methylamino)ethyl]quinazolin-4-one

6-bromo-3-[2-(methylamino)ethyl]quinazolin-4-one (PubChem CID 62563754) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 6-bromo-3-[2-(methylamino)ethyl]quinazolin-4-one.

Molecular Properties

Compound Name6-bromo-3-[2-(methylamino)ethyl]quinazolin-4-one
PubChem CID62563754
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name6-bromo-3-[2-(methylamino)ethyl]quinazolin-4-one
SMILESCNCCn1cnc2ccc(Br)cc2c1=O
InChIInChI=1S/C11H12BrN3O/c1-13-4-5-15-7-14-10-3-2-8(12)6-9(10)11(15)16/h2-3,6-7,13H,4-5H2,1H3
InChIKeyHJRIOXROUPJQJV-UHFFFAOYSA-N
XLogP1.38
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[2-(methylamino)ethyl]quinazolin-4-one?
The IUPAC name of 6-bromo-3-[2-(methylamino)ethyl]quinazolin-4-one (CID 62563754) is 6-bromo-3-[2-(methylamino)ethyl]quinazolin-4-one.
What is the SMILES notation for 6-bromo-3-[2-(methylamino)ethyl]quinazolin-4-one?
The canonical SMILES for 6-bromo-3-[2-(methylamino)ethyl]quinazolin-4-one is CNCCn1cnc2ccc(Br)cc2c1=O.
What is the InChIKey of 6-bromo-3-[2-(methylamino)ethyl]quinazolin-4-one?
The InChIKey is HJRIOXROUPJQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c1-13-4-5-15-7-14-10-3-2-8(12)6-9(10)11(15)16/h2-3,6-7,13H,4-5H2,1H3.
What are the key properties of 6-bromo-3-[2-(methylamino)ethyl]quinazolin-4-one?
6-bromo-3-[2-(methylamino)ethyl]quinazolin-4-one has a molecular weight of 282.14 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[2-(methylamino)ethyl]quinazolin-4-one is sourced from PubChem (CID 62563754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).