2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide

C20H15Cl2F3N4O3 — CID 30759853

IUPAC2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide
SMILESCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O
InChIInChI=1S/C20H15Cl2F3N4O3/c1-28(8-16(30)27-15-5-3-2-4-13(15)20(23,24)25)17(31)9-29-10-26-18-12(19(29)32)6-11(21)7-14(18)22/h2-7,10H,8-9H2,1H3,(H,27,30)
InChIKeyXCYXDXLCDNXFNT-UHFFFAOYSA-N
MW487.27 g/mol
LogP3.82
Rot. Bonds5

About 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide

2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide (PubChem CID 30759853) has the molecular formula C20H15Cl2F3N4O3 and a molecular weight of 487.27 g/mol. Its IUPAC name is 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide.

Molecular Properties

Compound Name2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide
PubChem CID30759853
Molecular FormulaC20H15Cl2F3N4O3
Molecular Weight487.27 g/mol
Exact Mass486.05
IUPAC Name2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide
SMILESCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O
InChIInChI=1S/C20H15Cl2F3N4O3/c1-28(8-16(30)27-15-5-3-2-4-13(15)20(23,24)25)17(31)9-29-10-26-18-12(19(29)32)6-11(21)7-14(18)22/h2-7,10H,8-9H2,1H3,(H,27,30)
InChIKeyXCYXDXLCDNXFNT-UHFFFAOYSA-N
XLogP3.82
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.27
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide with MolForge

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Related Compounds

N-methyl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide
CID 26783345
N-[(2R)-butan-2-yl]-2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]acetamide
CID 30759801
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 27912189
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 4809057
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 16560939
2,4-dichloro-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 18279065
2-[(2-chloroacetyl)-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2095781
N-(4-chloro-2-methylphenyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide
CID 7628708
2-(6-methyl-4-oxoquinazolin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 55733182
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N,N-di(propan-2-yl)acetamide
CID 18195110
N-cyclopropyl-2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 17404805
2-chloro-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 18112781

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide?
The IUPAC name of 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide (CID 30759853) is 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide.
What is the SMILES notation for 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide?
The canonical SMILES for 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide is CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O.
What is the InChIKey of 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide?
The InChIKey is XCYXDXLCDNXFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2F3N4O3/c1-28(8-16(30)27-15-5-3-2-4-13(15)20(23,24)25)17(31)9-29-10-26-18-12(19(29)32)6-11(21)7-14(18)22/h2-7,10H,8-9H2,1H3,(H,27,30).
What are the key properties of 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide?
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide has a molecular weight of 487.27 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide is sourced from PubChem (CID 30759853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).