N-[2-(4-chlorophenyl)ethyl]-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide

C18H14Cl3N3O2 — CID 4262025

IUPACN-[2-(4-chlorophenyl)ethyl]-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide
SMILESO=C(COc1ncnc2c(Cl)cc(Cl)cc12)NCCc1ccc(Cl)cc1
InChIInChI=1S/C18H14Cl3N3O2/c19-12-3-1-11(2-4-12)5-6-22-16(25)9-26-18-14-7-13(20)8-15(21)17(14)23-10-24-18/h1-4,7-8,10H,5-6,9H2,(H,22,25)
InChIKeyILESBRIOXNBXAS-UHFFFAOYSA-N
MW410.69 g/mol
LogP4.33
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide

N-[2-(4-chlorophenyl)ethyl]-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide (PubChem CID 4262025) has the molecular formula C18H14Cl3N3O2 and a molecular weight of 410.69 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide
PubChem CID4262025
Molecular FormulaC18H14Cl3N3O2
Molecular Weight410.69 g/mol
Exact Mass409.02
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide
SMILESO=C(COc1ncnc2c(Cl)cc(Cl)cc12)NCCc1ccc(Cl)cc1
InChIInChI=1S/C18H14Cl3N3O2/c19-12-3-1-11(2-4-12)5-6-22-16(25)9-26-18-14-7-13(20)8-15(21)17(14)23-10-24-18/h1-4,7-8,10H,5-6,9H2,(H,22,25)
InChIKeyILESBRIOXNBXAS-UHFFFAOYSA-N
XLogP4.33
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.69
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6,8-dichloroquinazolin-4-yl)oxy-N-ethylacetamide
CID 2415100
N-[(3-chlorophenyl)methyl]-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide
CID 4641621
N-(benzylcarbamoyl)-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide
CID 3440020
2-(6,8-dichloroquinazolin-4-yl)oxy-N-(2,5-dimethylphenyl)acetamide
CID 8012479
2-(6,8-dichloroquinazolin-4-yl)oxy-N-naphthalen-2-ylacetamide
CID 4005082
N-(tert-butylcarbamoyl)-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide
CID 2704065
methyl 4-[(6,8-dichloroquinazolin-4-yl)oxymethyl]benzoate
CID 2426065
2-(6,8-dichloroquinazolin-4-yl)oxy-N-(4-ethoxyphenyl)acetamide
CID 4310600
2-(6,8-dichloroquinazolin-4-yl)oxy-N-(3-methoxyphenyl)acetamide
CID 2704087
N-[2-(4-chlorophenyl)ethyl]-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978044
2-(2-chloro-5-methylphenoxy)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 2677051
N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dibromophenoxy)acetamide
CID 2632590

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide (CID 4262025) is N-[2-(4-chlorophenyl)ethyl]-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide is O=C(COc1ncnc2c(Cl)cc(Cl)cc12)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide?
The InChIKey is ILESBRIOXNBXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl3N3O2/c19-12-3-1-11(2-4-12)5-6-22-16(25)9-26-18-14-7-13(20)8-15(21)17(14)23-10-24-18/h1-4,7-8,10H,5-6,9H2,(H,22,25).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide?
N-[2-(4-chlorophenyl)ethyl]-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide has a molecular weight of 410.69 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide is sourced from PubChem (CID 4262025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).