2-(2,6-dimethylphenoxy)-N-(2-methyl-4-oxoquinazolin-3-yl)acetamide

C19H19N3O3 — CID 660182

IUPAC2-(2,6-dimethylphenoxy)-N-(2-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCc1cccc(C)c1OCC(=O)Nn1c(C)nc2ccccc2c1=O
InChIInChI=1S/C19H19N3O3/c1-12-7-6-8-13(2)18(12)25-11-17(23)21-22-14(3)20-16-10-5-4-9-15(16)19(22)24/h4-10H,11H2,1-3H3,(H,21,23)
InChIKeyJDFGBBCKNXWKMD-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.47
Rot. Bonds4

About 2-(2,6-dimethylphenoxy)-N-(2-methyl-4-oxoquinazolin-3-yl)acetamide

2-(2,6-dimethylphenoxy)-N-(2-methyl-4-oxoquinazolin-3-yl)acetamide (PubChem CID 660182) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N-(2-methyl-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N-(2-methyl-4-oxoquinazolin-3-yl)acetamide
PubChem CID660182
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name2-(2,6-dimethylphenoxy)-N-(2-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCc1cccc(C)c1OCC(=O)Nn1c(C)nc2ccccc2c1=O
InChIInChI=1S/C19H19N3O3/c1-12-7-6-8-13(2)18(12)25-11-17(23)21-22-14(3)20-16-10-5-4-9-15(16)19(22)24/h4-10H,11H2,1-3H3,(H,21,23)
InChIKeyJDFGBBCKNXWKMD-UHFFFAOYSA-N
XLogP2.47
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N-(2-methyl-4-oxoquinazolin-3-yl)acetamide (CID 660182) is 2-(2,6-dimethylphenoxy)-N-(2-methyl-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N-(2-methyl-4-oxoquinazolin-3-yl)acetamide is Cc1cccc(C)c1OCC(=O)Nn1c(C)nc2ccccc2c1=O.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is JDFGBBCKNXWKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-12-7-6-8-13(2)18(12)25-11-17(23)21-22-14(3)20-16-10-5-4-9-15(16)19(22)24/h4-10H,11H2,1-3H3,(H,21,23).
What are the key properties of 2-(2,6-dimethylphenoxy)-N-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
2-(2,6-dimethylphenoxy)-N-(2-methyl-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 337.38 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-N-(2-methyl-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 660182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).