2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyethyl)acetamide

C13H14BrN3O3 — CID 7886604

IUPAC2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1cnc2ccc(Br)cc2c1=O
InChIInChI=1S/C13H14BrN3O3/c1-20-5-4-15-12(18)7-17-8-16-11-3-2-9(14)6-10(11)13(17)19/h2-3,6,8H,4-5,7H2,1H3,(H,15,18)
InChIKeyHHVOCOHXSNQGQC-UHFFFAOYSA-N
MW340.18 g/mol
LogP0.92
Rot. Bonds5

About 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyethyl)acetamide

2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyethyl)acetamide (PubChem CID 7886604) has the molecular formula C13H14BrN3O3 and a molecular weight of 340.18 g/mol. Its IUPAC name is 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyethyl)acetamide
PubChem CID7886604
Molecular FormulaC13H14BrN3O3
Molecular Weight340.18 g/mol
Exact Mass339.02
IUPAC Name2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1cnc2ccc(Br)cc2c1=O
InChIInChI=1S/C13H14BrN3O3/c1-20-5-4-15-12(18)7-17-8-16-11-3-2-9(14)6-10(11)13(17)19/h2-3,6,8H,4-5,7H2,1H3,(H,15,18)
InChIKeyHHVOCOHXSNQGQC-UHFFFAOYSA-N
XLogP0.92
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 50.92
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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Related Compounds

2-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-(4-methylphenoxy)butyl]acetamide
CID 55799689
N-(3-aminobutyl)-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide;hydrochloride
CID 119496250
6-bromo-3-[2-(2-methoxyethylamino)ethyl]quinazolin-4-one
CID 62563601
N-benzyl-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
CID 7886509
2-(8-bromo-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(2-methoxyethyl)acetamide
CID 18525583
2-(6-bromo-4-oxoquinazolin-3-yl)-N-tert-butylacetamide
CID 7886608
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-pyrazol-1-ylpropyl)acetamide
CID 55719002
3-[[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]methyl]-N-ethylbenzamide
CID 55724372
2-(7-bromo-4-oxoquinazolin-3-yl)-N-(3-methylbutyl)acetamide
CID 78961298
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2S)-butan-2-yl]acetamide
CID 7488299
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 7886622
2-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopropylacetamide
CID 7886546

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyethyl)acetamide (CID 7886604) is 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyethyl)acetamide is COCCNC(=O)Cn1cnc2ccc(Br)cc2c1=O.
What is the InChIKey of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyethyl)acetamide?
The InChIKey is HHVOCOHXSNQGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O3/c1-20-5-4-15-12(18)7-17-8-16-11-3-2-9(14)6-10(11)13(17)19/h2-3,6,8H,4-5,7H2,1H3,(H,15,18).
What are the key properties of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyethyl)acetamide?
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyethyl)acetamide has a molecular weight of 340.18 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 7886604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).