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

C16H9BrCl3N3O2 — CID 55379284

IUPAC2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,4,6-trichlorophenyl)acetamide
SMILESO=C(Cn1cnc2ccc(Br)cc2c1=O)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C16H9BrCl3N3O2/c17-8-1-2-13-10(3-8)16(25)23(7-21-13)6-14(24)22-15-11(19)4-9(18)5-12(15)20/h1-5,7H,6H2,(H,22,24)
InChIKeyDPNIYHVVQLWXCZ-UHFFFAOYSA-N
MW461.53 g/mol
LogP4.76
Rot. Bonds3

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

2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,4,6-trichlorophenyl)acetamide (PubChem CID 55379284) has the molecular formula C16H9BrCl3N3O2 and a molecular weight of 461.53 g/mol. Its IUPAC name is 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,4,6-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,4,6-trichlorophenyl)acetamide
PubChem CID55379284
Molecular FormulaC16H9BrCl3N3O2
Molecular Weight461.53 g/mol
Exact Mass458.89
IUPAC Name2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,4,6-trichlorophenyl)acetamide
SMILESO=C(Cn1cnc2ccc(Br)cc2c1=O)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C16H9BrCl3N3O2/c17-8-1-2-13-10(3-8)16(25)23(7-21-13)6-14(24)22-15-11(19)4-9(18)5-12(15)20/h1-5,7H,6H2,(H,22,24)
InChIKeyDPNIYHVVQLWXCZ-UHFFFAOYSA-N
XLogP4.76
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.53
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 3311632
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-chloro-2-methylphenyl)acetamide
CID 7275237
6-bromo-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]quinazolin-4-one
CID 3290687
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-(5-chloro-2-cyanophenyl)acetamide
CID 17492289
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7886626
2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(2,4,6-trichlorophenyl)acetamide
CID 18165522
2-(6-bromo-4-oxoquinazolin-3-yl)-N-tert-butylacetamide
CID 7886608
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 55379236
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,4-difluorophenyl)acetamide
CID 7488154
2-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopropylacetamide
CID 7886546
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-phenylpyrazol-3-yl)acetamide
CID 55718262

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,4,6-trichlorophenyl)acetamide?
The IUPAC name of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,4,6-trichlorophenyl)acetamide (CID 55379284) is 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,4,6-trichlorophenyl)acetamide.
What is the SMILES notation for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,4,6-trichlorophenyl)acetamide?
The canonical SMILES for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,4,6-trichlorophenyl)acetamide is O=C(Cn1cnc2ccc(Br)cc2c1=O)Nc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,4,6-trichlorophenyl)acetamide?
The InChIKey is DPNIYHVVQLWXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrCl3N3O2/c17-8-1-2-13-10(3-8)16(25)23(7-21-13)6-14(24)22-15-11(19)4-9(18)5-12(15)20/h1-5,7H,6H2,(H,22,24).
What are the key properties of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,4,6-trichlorophenyl)acetamide?
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,4,6-trichlorophenyl)acetamide has a molecular weight of 461.53 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,4,6-trichlorophenyl)acetamide is sourced from PubChem (CID 55379284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).