2-(4-chloro-2,6-dimethylphenoxy)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide

C22H24ClN3O4 — CID 135775945

IUPAC2-(4-chloro-2,6-dimethylphenoxy)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
SMILESCOCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)COc1c(C)cc(Cl)cc1C
InChIInChI=1S/C22H24ClN3O4/c1-14-10-16(23)11-15(2)21(14)30-13-20(27)26(8-9-29-3)12-19-24-18-7-5-4-6-17(18)22(28)25-19/h4-7,10-11H,8-9,12-13H2,1-3H3,(H,24,25,28)
InChIKeyYPGBOMNYXYEVNC-UHFFFAOYSA-N
MW429.90 g/mol
LogP3.25
Rot. Bonds8

About 2-(4-chloro-2,6-dimethylphenoxy)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide

2-(4-chloro-2,6-dimethylphenoxy)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide (PubChem CID 135775945) has the molecular formula C22H24ClN3O4 and a molecular weight of 429.90 g/mol. Its IUPAC name is 2-(4-chloro-2,6-dimethylphenoxy)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2,6-dimethylphenoxy)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
PubChem CID135775945
Molecular FormulaC22H24ClN3O4
Molecular Weight429.90 g/mol
Exact Mass429.15
IUPAC Name2-(4-chloro-2,6-dimethylphenoxy)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
SMILESCOCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)COc1c(C)cc(Cl)cc1C
InChIInChI=1S/C22H24ClN3O4/c1-14-10-16(23)11-15(2)21(14)30-13-20(27)26(8-9-29-3)12-19-24-18-7-5-4-6-17(18)22(28)25-19/h4-7,10-11H,8-9,12-13H2,1-3H3,(H,24,25,28)
InChIKeyYPGBOMNYXYEVNC-UHFFFAOYSA-N
XLogP3.25
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.90
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,6-dimethylphenoxy)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
The IUPAC name of 2-(4-chloro-2,6-dimethylphenoxy)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide (CID 135775945) is 2-(4-chloro-2,6-dimethylphenoxy)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2,6-dimethylphenoxy)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
The canonical SMILES for 2-(4-chloro-2,6-dimethylphenoxy)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide is COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)COc1c(C)cc(Cl)cc1C.
What is the InChIKey of 2-(4-chloro-2,6-dimethylphenoxy)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
The InChIKey is YPGBOMNYXYEVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O4/c1-14-10-16(23)11-15(2)21(14)30-13-20(27)26(8-9-29-3)12-19-24-18-7-5-4-6-17(18)22(28)25-19/h4-7,10-11H,8-9,12-13H2,1-3H3,(H,24,25,28).
What are the key properties of 2-(4-chloro-2,6-dimethylphenoxy)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
2-(4-chloro-2,6-dimethylphenoxy)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide has a molecular weight of 429.90 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,6-dimethylphenoxy)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide is sourced from PubChem (CID 135775945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).