6-bromo-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]quinazolin-4-one

C16H9BrCl2N2O2 — CID 3290687

IUPAC6-bromo-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]quinazolin-4-one
SMILESO=C(Cn1cnc2ccc(Br)cc2c1=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H9BrCl2N2O2/c17-9-1-4-14-12(5-9)16(23)21(8-20-14)7-15(22)11-3-2-10(18)6-13(11)19/h1-6,8H,7H2
InChIKeySXNFERVILBTRQG-UHFFFAOYSA-N
MW412.07 g/mol
LogP4.35
Rot. Bonds3

About 6-bromo-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]quinazolin-4-one

6-bromo-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]quinazolin-4-one (PubChem CID 3290687) has the molecular formula C16H9BrCl2N2O2 and a molecular weight of 412.07 g/mol. Its IUPAC name is 6-bromo-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]quinazolin-4-one.

Molecular Properties

Compound Name6-bromo-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]quinazolin-4-one
PubChem CID3290687
Molecular FormulaC16H9BrCl2N2O2
Molecular Weight412.07 g/mol
Exact Mass409.92
IUPAC Name6-bromo-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]quinazolin-4-one
SMILESO=C(Cn1cnc2ccc(Br)cc2c1=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H9BrCl2N2O2/c17-9-1-4-14-12(5-9)16(23)21(8-20-14)7-15(22)11-3-2-10(18)6-13(11)19/h1-6,8H,7H2
InChIKeySXNFERVILBTRQG-UHFFFAOYSA-N
XLogP4.35
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.07
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-3-[2-(2-fluorophenyl)-2-oxoethyl]quinazolin-4-one
CID 7488169
6-bromo-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]quinazolin-4-one
CID 7488393
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,4,6-trichlorophenyl)acetamide
CID 55379284
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide
CID 55719138
3-[2-(2,5-dichlorophenyl)-2-oxoethyl]quinazolin-4-one
CID 17436537
6-bromo-3-[(4-chlorophenyl)methyl]quinazolin-4-one
CID 800705
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-[1-(4-chlorophenyl)ethyl]acetamide
CID 55379236
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(5-chloro-2-cyanophenyl)acetamide
CID 17492289
3-(2-bromoprop-2-enyl)-6-chloroquinazolin-4-one
CID 47357057
6-bromo-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]quinazolin-4-one
CID 56519020

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]quinazolin-4-one?
The IUPAC name of 6-bromo-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]quinazolin-4-one (CID 3290687) is 6-bromo-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]quinazolin-4-one.
What is the SMILES notation for 6-bromo-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]quinazolin-4-one?
The canonical SMILES for 6-bromo-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]quinazolin-4-one is O=C(Cn1cnc2ccc(Br)cc2c1=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 6-bromo-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]quinazolin-4-one?
The InChIKey is SXNFERVILBTRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrCl2N2O2/c17-9-1-4-14-12(5-9)16(23)21(8-20-14)7-15(22)11-3-2-10(18)6-13(11)19/h1-6,8H,7H2.
What are the key properties of 6-bromo-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]quinazolin-4-one?
6-bromo-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]quinazolin-4-one has a molecular weight of 412.07 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]quinazolin-4-one is sourced from PubChem (CID 3290687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).