N-[1-(2,4-dichlorophenyl)ethyl]-2-quinazolin-4-yloxyacetamide

C18H15Cl2N3O2 — CID 4879244

IUPACN-[1-(2,4-dichlorophenyl)ethyl]-2-quinazolin-4-yloxyacetamide
SMILESCC(NC(=O)COc1ncnc2ccccc12)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H15Cl2N3O2/c1-11(13-7-6-12(19)8-15(13)20)23-17(24)9-25-18-14-4-2-3-5-16(14)21-10-22-18/h2-8,10-11H,9H2,1H3,(H,23,24)
InChIKeyDIQSFMKLPNYERM-UHFFFAOYSA-N
MW376.24 g/mol
LogP4.19
Rot. Bonds5

About N-[1-(2,4-dichlorophenyl)ethyl]-2-quinazolin-4-yloxyacetamide

N-[1-(2,4-dichlorophenyl)ethyl]-2-quinazolin-4-yloxyacetamide (PubChem CID 4879244) has the molecular formula C18H15Cl2N3O2 and a molecular weight of 376.24 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]-2-quinazolin-4-yloxyacetamide.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]-2-quinazolin-4-yloxyacetamide
PubChem CID4879244
Molecular FormulaC18H15Cl2N3O2
Molecular Weight376.24 g/mol
Exact Mass375.05
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]-2-quinazolin-4-yloxyacetamide
SMILESCC(NC(=O)COc1ncnc2ccccc12)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H15Cl2N3O2/c1-11(13-7-6-12(19)8-15(13)20)23-17(24)9-25-18-14-4-2-3-5-16(14)21-10-22-18/h2-8,10-11H,9H2,1H3,(H,23,24)
InChIKeyDIQSFMKLPNYERM-UHFFFAOYSA-N
XLogP4.19
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-phenylethyl]-2-quinazolin-4-yloxyacetamide
CID 2392998
2-[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethoxy]benzamide
CID 4884296
(2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-quinazolin-4-ylsulfanylpropanamide
CID 9325215
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2,4-dichlorophenoxy)acetamide
CID 7859030
N-[1-(2,4-dichlorophenyl)ethyl]quinazolin-4-amine
CID 60677573
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 2500589
[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 2515658
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 2500586
2-(4-acetylphenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]acetamide
CID 16546897
[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 42978732
N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-2-quinazolin-4-yloxyacetamide
CID 51498450
[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 42978722

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-2-quinazolin-4-yloxyacetamide?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-2-quinazolin-4-yloxyacetamide (CID 4879244) is N-[1-(2,4-dichlorophenyl)ethyl]-2-quinazolin-4-yloxyacetamide.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]-2-quinazolin-4-yloxyacetamide?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]-2-quinazolin-4-yloxyacetamide is CC(NC(=O)COc1ncnc2ccccc12)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]-2-quinazolin-4-yloxyacetamide?
The InChIKey is DIQSFMKLPNYERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O2/c1-11(13-7-6-12(19)8-15(13)20)23-17(24)9-25-18-14-4-2-3-5-16(14)21-10-22-18/h2-8,10-11H,9H2,1H3,(H,23,24).
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]-2-quinazolin-4-yloxyacetamide?
N-[1-(2,4-dichlorophenyl)ethyl]-2-quinazolin-4-yloxyacetamide has a molecular weight of 376.24 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)ethyl]-2-quinazolin-4-yloxyacetamide is sourced from PubChem (CID 4879244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).