2-(2-benzylphenoxy)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylacetamide

C26H24ClN3O3 — CID 135706276

IUPAC2-(2-benzylphenoxy)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylacetamide
SMILESCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)COc1ccccc1Cc1ccccc1
InChIInChI=1S/C26H24ClN3O3/c1-2-30(16-24-28-22-15-20(27)12-13-21(22)26(32)29-24)25(31)17-33-23-11-7-6-10-19(23)14-18-8-4-3-5-9-18/h3-13,15H,2,14,16-17H2,1H3,(H,28,29,32)
InChIKeyBFYIAKPECWSHDO-UHFFFAOYSA-N
MW461.95 g/mol
LogP4.59
Rot. Bonds8

About 2-(2-benzylphenoxy)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylacetamide

2-(2-benzylphenoxy)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylacetamide (PubChem CID 135706276) has the molecular formula C26H24ClN3O3 and a molecular weight of 461.95 g/mol. Its IUPAC name is 2-(2-benzylphenoxy)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylacetamide.

Molecular Properties

Compound Name2-(2-benzylphenoxy)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylacetamide
PubChem CID135706276
Molecular FormulaC26H24ClN3O3
Molecular Weight461.95 g/mol
Exact Mass461.15
IUPAC Name2-(2-benzylphenoxy)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylacetamide
SMILESCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)COc1ccccc1Cc1ccccc1
InChIInChI=1S/C26H24ClN3O3/c1-2-30(16-24-28-22-15-20(27)12-13-21(22)26(32)29-24)25(31)17-33-23-11-7-6-10-19(23)14-18-8-4-3-5-9-18/h3-13,15H,2,14,16-17H2,1H3,(H,28,29,32)
InChIKeyBFYIAKPECWSHDO-UHFFFAOYSA-N
XLogP4.59
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.95
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-benzylphenoxy)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylphenoxy)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylacetamide?
The IUPAC name of 2-(2-benzylphenoxy)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylacetamide (CID 135706276) is 2-(2-benzylphenoxy)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylacetamide.
What is the SMILES notation for 2-(2-benzylphenoxy)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylacetamide?
The canonical SMILES for 2-(2-benzylphenoxy)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylacetamide is CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)COc1ccccc1Cc1ccccc1.
What is the InChIKey of 2-(2-benzylphenoxy)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylacetamide?
The InChIKey is BFYIAKPECWSHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O3/c1-2-30(16-24-28-22-15-20(27)12-13-21(22)26(32)29-24)25(31)17-33-23-11-7-6-10-19(23)14-18-8-4-3-5-9-18/h3-13,15H,2,14,16-17H2,1H3,(H,28,29,32).
What are the key properties of 2-(2-benzylphenoxy)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylacetamide?
2-(2-benzylphenoxy)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylacetamide has a molecular weight of 461.95 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylphenoxy)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylacetamide is sourced from PubChem (CID 135706276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).