2-(4-chlorophenoxy)-N-ethyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]acetamide

C23H26ClN3O3 — CID 42713246

IUPAC2-(4-chlorophenoxy)-N-ethyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]acetamide
SMILESCCCn1c(C(C)N(CC)C(=O)COc2ccc(Cl)cc2)nc2ccccc2c1=O
InChIInChI=1S/C23H26ClN3O3/c1-4-14-27-22(25-20-9-7-6-8-19(20)23(27)29)16(3)26(5-2)21(28)15-30-18-12-10-17(24)11-13-18/h6-13,16H,4-5,14-15H2,1-3H3
InChIKeyWBAJCGGJKODQII-UHFFFAOYSA-N
MW427.93 g/mol
LogP4.45
Rot. Bonds8

About 2-(4-chlorophenoxy)-N-ethyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]acetamide

2-(4-chlorophenoxy)-N-ethyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]acetamide (PubChem CID 42713246) has the molecular formula C23H26ClN3O3 and a molecular weight of 427.93 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-ethyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-ethyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]acetamide
PubChem CID42713246
Molecular FormulaC23H26ClN3O3
Molecular Weight427.93 g/mol
Exact Mass427.17
IUPAC Name2-(4-chlorophenoxy)-N-ethyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]acetamide
SMILESCCCn1c(C(C)N(CC)C(=O)COc2ccc(Cl)cc2)nc2ccccc2c1=O
InChIInChI=1S/C23H26ClN3O3/c1-4-14-27-22(25-20-9-7-6-8-19(20)23(27)29)16(3)26(5-2)21(28)15-30-18-12-10-17(24)11-13-18/h6-13,16H,4-5,14-15H2,1-3H3
InChIKeyWBAJCGGJKODQII-UHFFFAOYSA-N
XLogP4.45
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.93
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-ethyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]benzamide
CID 42713238
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-(4-chlorophenoxy)-N-ethylacetamide
CID 42712301
N-[1-(3-benzyl-4-oxoquinazolin-2-yl)propyl]-2-(4-chlorophenoxy)-N-(2-methylpropyl)acetamide
CID 3987669
2-(4-chlorophenoxy)-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)acetamide
CID 42721500
N-(2-methoxyethyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-2-phenoxyacetamide
CID 42713207
N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-hexyl-2-phenoxyacetamide
CID 42712376
N-butyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenoxyacetamide
CID 42711517
2-(4-chlorophenoxy)-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)acetamide
CID 42721670
N-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-2-phenoxyacetamide
CID 42727606
N-ethyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]furan-2-carboxamide
CID 42713243
N-(2-methoxyethyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-2-phenylacetamide
CID 42713326
N-benzyl-2-(4-chlorophenoxy)-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]acetamide
CID 4240011

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-ethyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-ethyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]acetamide (CID 42713246) is 2-(4-chlorophenoxy)-N-ethyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-ethyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-ethyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]acetamide is CCCn1c(C(C)N(CC)C(=O)COc2ccc(Cl)cc2)nc2ccccc2c1=O.
What is the InChIKey of 2-(4-chlorophenoxy)-N-ethyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]acetamide?
The InChIKey is WBAJCGGJKODQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O3/c1-4-14-27-22(25-20-9-7-6-8-19(20)23(27)29)16(3)26(5-2)21(28)15-30-18-12-10-17(24)11-13-18/h6-13,16H,4-5,14-15H2,1-3H3.
What are the key properties of 2-(4-chlorophenoxy)-N-ethyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]acetamide?
2-(4-chlorophenoxy)-N-ethyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]acetamide has a molecular weight of 427.93 g/mol, XLogP of 4.45, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-ethyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]acetamide is sourced from PubChem (CID 42713246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).