2-(6-bromo-4-oxoquinazolin-3-yl)-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide

C18H13BrClN3O4 — CID 24570662

IUPAC2-(6-bromo-4-oxoquinazolin-3-yl)-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
SMILESO=C(Cn1cnc2ccc(Br)cc2c1=O)Nc1cc2c(cc1Cl)OCCO2
InChIInChI=1S/C18H13BrClN3O4/c19-10-1-2-13-11(5-10)18(25)23(9-21-13)8-17(24)22-14-7-16-15(6-12(14)20)26-3-4-27-16/h1-2,5-7,9H,3-4,8H2,(H,22,24)
InChIKeyBVINQCPEAXSKMU-UHFFFAOYSA-N
MW450.68 g/mol
LogP3.22
Rot. Bonds3

About 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide

2-(6-bromo-4-oxoquinazolin-3-yl)-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide (PubChem CID 24570662) has the molecular formula C18H13BrClN3O4 and a molecular weight of 450.68 g/mol. Its IUPAC name is 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide.

Molecular Properties

Compound Name2-(6-bromo-4-oxoquinazolin-3-yl)-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
PubChem CID24570662
Molecular FormulaC18H13BrClN3O4
Molecular Weight450.68 g/mol
Exact Mass448.98
IUPAC Name2-(6-bromo-4-oxoquinazolin-3-yl)-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
SMILESO=C(Cn1cnc2ccc(Br)cc2c1=O)Nc1cc2c(cc1Cl)OCCO2
InChIInChI=1S/C18H13BrClN3O4/c19-10-1-2-13-11(5-10)18(25)23(9-21-13)8-17(24)22-14-7-16-15(6-12(14)20)26-3-4-27-16/h1-2,5-7,9H,3-4,8H2,(H,22,24)
InChIKeyBVINQCPEAXSKMU-UHFFFAOYSA-N
XLogP3.22
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.68
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide with MolForge

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Related Compounds

2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,4,6-trichlorophenyl)acetamide
CID 55379284
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
CID 16599567
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-chloro-2-methylphenyl)acetamide
CID 7275237
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 3311632
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(5-chloro-2-cyanophenyl)acetamide
CID 17492289
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,4-difluorophenyl)acetamide
CID 7488154
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 36707086
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7886626
2-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopropylacetamide
CID 7886546
2-[2-[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-N-methylacetamide
CID 55760929
N-(2-benzylphenyl)-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
CID 30763561
2-(6-bromo-4-oxoquinazolin-3-yl)-N-tert-butylacetamide
CID 7886608

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide?
The IUPAC name of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide (CID 24570662) is 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide.
What is the SMILES notation for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide?
The canonical SMILES for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide is O=C(Cn1cnc2ccc(Br)cc2c1=O)Nc1cc2c(cc1Cl)OCCO2.
What is the InChIKey of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide?
The InChIKey is BVINQCPEAXSKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrClN3O4/c19-10-1-2-13-11(5-10)18(25)23(9-21-13)8-17(24)22-14-7-16-15(6-12(14)20)26-3-4-27-16/h1-2,5-7,9H,3-4,8H2,(H,22,24).
What are the key properties of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide?
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide has a molecular weight of 450.68 g/mol, XLogP of 3.22, 3 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-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide is sourced from PubChem (CID 24570662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).