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

C13H16BrN3O2 — CID 62563601

IUPAC6-bromo-3-[2-(2-methoxyethylamino)ethyl]quinazolin-4-one
SMILESCOCCNCCn1cnc2ccc(Br)cc2c1=O
InChIInChI=1S/C13H16BrN3O2/c1-19-7-5-15-4-6-17-9-16-12-3-2-10(14)8-11(12)13(17)18/h2-3,8-9,15H,4-7H2,1H3
InChIKeyLSOURVIJFWBSDZ-UHFFFAOYSA-N
MW326.19 g/mol
LogP1.39
Rot. Bonds6

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

6-bromo-3-[2-(2-methoxyethylamino)ethyl]quinazolin-4-one (PubChem CID 62563601) has the molecular formula C13H16BrN3O2 and a molecular weight of 326.19 g/mol. Its IUPAC name is 6-bromo-3-[2-(2-methoxyethylamino)ethyl]quinazolin-4-one.

Molecular Properties

Compound Name6-bromo-3-[2-(2-methoxyethylamino)ethyl]quinazolin-4-one
PubChem CID62563601
Molecular FormulaC13H16BrN3O2
Molecular Weight326.19 g/mol
Exact Mass325.04
IUPAC Name6-bromo-3-[2-(2-methoxyethylamino)ethyl]quinazolin-4-one
SMILESCOCCNCCn1cnc2ccc(Br)cc2c1=O
InChIInChI=1S/C13H16BrN3O2/c1-19-7-5-15-4-6-17-9-16-12-3-2-10(14)8-11(12)13(17)18/h2-3,8-9,15H,4-7H2,1H3
InChIKeyLSOURVIJFWBSDZ-UHFFFAOYSA-N
XLogP1.39
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[2-(2-methoxyethylamino)ethyl]quinazolin-4-one?
The IUPAC name of 6-bromo-3-[2-(2-methoxyethylamino)ethyl]quinazolin-4-one (CID 62563601) is 6-bromo-3-[2-(2-methoxyethylamino)ethyl]quinazolin-4-one.
What is the SMILES notation for 6-bromo-3-[2-(2-methoxyethylamino)ethyl]quinazolin-4-one?
The canonical SMILES for 6-bromo-3-[2-(2-methoxyethylamino)ethyl]quinazolin-4-one is COCCNCCn1cnc2ccc(Br)cc2c1=O.
What is the InChIKey of 6-bromo-3-[2-(2-methoxyethylamino)ethyl]quinazolin-4-one?
The InChIKey is LSOURVIJFWBSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O2/c1-19-7-5-15-4-6-17-9-16-12-3-2-10(14)8-11(12)13(17)18/h2-3,8-9,15H,4-7H2,1H3.
What are the key properties of 6-bromo-3-[2-(2-methoxyethylamino)ethyl]quinazolin-4-one?
6-bromo-3-[2-(2-methoxyethylamino)ethyl]quinazolin-4-one has a molecular weight of 326.19 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[2-(2-methoxyethylamino)ethyl]quinazolin-4-one is sourced from PubChem (CID 62563601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).