2-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide

C20H18BrN3O4 — CID 16599567

IUPAC2-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
SMILESO=C(Cn1cnc2ccc(Br)cc2c1=O)NCCc1ccc2c(c1)OCCO2
InChIInChI=1S/C20H18BrN3O4/c21-14-2-3-16-15(10-14)20(26)24(12-23-16)11-19(25)22-6-5-13-1-4-17-18(9-13)28-8-7-27-17/h1-4,9-10,12H,5-8,11H2,(H,22,25)
InChIKeyNYITXJRBNWFOTD-UHFFFAOYSA-N
MW444.29 g/mol
LogP2.29
Rot. Bonds5

About 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide

2-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide (PubChem CID 16599567) has the molecular formula C20H18BrN3O4 and a molecular weight of 444.29 g/mol. Its IUPAC name is 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
PubChem CID16599567
Molecular FormulaC20H18BrN3O4
Molecular Weight444.29 g/mol
Exact Mass443.05
IUPAC Name2-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
SMILESO=C(Cn1cnc2ccc(Br)cc2c1=O)NCCc1ccc2c(c1)OCCO2
InChIInChI=1S/C20H18BrN3O4/c21-14-2-3-16-15(10-14)20(26)24(12-23-16)11-19(25)22-6-5-13-1-4-17-18(9-13)28-8-7-27-17/h1-4,9-10,12H,5-8,11H2,(H,22,25)
InChIKeyNYITXJRBNWFOTD-UHFFFAOYSA-N
XLogP2.29
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide with MolForge

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Related Compounds

2-(6-bromo-4-oxoquinazolin-3-yl)-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
CID 24570662
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyethyl)acetamide
CID 7886604
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
CID 4785365
N-benzyl-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
CID 7886509
N-(3-aminobutyl)-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide;hydrochloride
CID 119496250
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
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 55892252
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-pyrazol-1-ylpropyl)acetamide
CID 55719002
2-(6-bromo-4-oxoquinazolin-3-yl)-N-tert-butylacetamide
CID 7886608
2-(6-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 55733123
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-(4-methylphenoxy)butyl]acetamide
CID 55799689

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide?
The IUPAC name of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide (CID 16599567) is 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide.
What is the SMILES notation for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide?
The canonical SMILES for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide is O=C(Cn1cnc2ccc(Br)cc2c1=O)NCCc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide?
The InChIKey is NYITXJRBNWFOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O4/c21-14-2-3-16-15(10-14)20(26)24(12-23-16)11-19(25)22-6-5-13-1-4-17-18(9-13)28-8-7-27-17/h1-4,9-10,12H,5-8,11H2,(H,22,25).
What are the key properties of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide?
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide has a molecular weight of 444.29 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide is sourced from PubChem (CID 16599567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).