N-(benzylcarbamoyl)-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide

C18H14Cl2N4O3 — CID 3440020

IUPACN-(benzylcarbamoyl)-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide
SMILESO=C(COc1ncnc2c(Cl)cc(Cl)cc12)NC(=O)NCc1ccccc1
InChIInChI=1S/C18H14Cl2N4O3/c19-12-6-13-16(14(20)7-12)22-10-23-17(13)27-9-15(25)24-18(26)21-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H2,21,24,25,26)
InChIKeyHRXOACKGWPXDDS-UHFFFAOYSA-N
MW405.24 g/mol
LogP3.34
Rot. Bonds5

About N-(benzylcarbamoyl)-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide

N-(benzylcarbamoyl)-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide (PubChem CID 3440020) has the molecular formula C18H14Cl2N4O3 and a molecular weight of 405.24 g/mol. Its IUPAC name is N-(benzylcarbamoyl)-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide.

Molecular Properties

Compound NameN-(benzylcarbamoyl)-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide
PubChem CID3440020
Molecular FormulaC18H14Cl2N4O3
Molecular Weight405.24 g/mol
Exact Mass404.04
IUPAC NameN-(benzylcarbamoyl)-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide
SMILESO=C(COc1ncnc2c(Cl)cc(Cl)cc12)NC(=O)NCc1ccccc1
InChIInChI=1S/C18H14Cl2N4O3/c19-12-6-13-16(14(20)7-12)22-10-23-17(13)27-9-15(25)24-18(26)21-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H2,21,24,25,26)
InChIKeyHRXOACKGWPXDDS-UHFFFAOYSA-N
XLogP3.34
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.24
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide
CID 4641621
N-(tert-butylcarbamoyl)-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide
CID 2704065
2-(6,8-dichloroquinazolin-4-yl)oxy-N-ethylacetamide
CID 2415100
N-[2-(4-chlorophenyl)ethyl]-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide
CID 4262025
N-(1-adamantylcarbamoyl)-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide
CID 3950170
2-(6,8-dichloroquinazolin-4-yl)oxy-N-naphthalen-2-ylacetamide
CID 4005082
2-(6,8-dichloroquinazolin-4-yl)oxyacetamide
CID 2448568
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
2-(6,8-dichloroquinazolin-4-yl)oxy-N-(2,5-dimethylphenyl)acetamide
CID 8012479
N-(benzylcarbamoyl)-2-naphthalen-1-yloxyacetamide
CID 7860175
methyl 4-[(6,8-dichloroquinazolin-4-yl)oxymethyl]benzoate
CID 2426065

Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamoyl)-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide?
The IUPAC name of N-(benzylcarbamoyl)-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide (CID 3440020) is N-(benzylcarbamoyl)-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide.
What is the SMILES notation for N-(benzylcarbamoyl)-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide?
The canonical SMILES for N-(benzylcarbamoyl)-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide is O=C(COc1ncnc2c(Cl)cc(Cl)cc12)NC(=O)NCc1ccccc1.
What is the InChIKey of N-(benzylcarbamoyl)-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide?
The InChIKey is HRXOACKGWPXDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O3/c19-12-6-13-16(14(20)7-12)22-10-23-17(13)27-9-15(25)24-18(26)21-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H2,21,24,25,26).
What are the key properties of N-(benzylcarbamoyl)-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide?
N-(benzylcarbamoyl)-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide has a molecular weight of 405.24 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamoyl)-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide is sourced from PubChem (CID 3440020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).