N-(2-methyl-4-oxoquinazolin-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

C21H23N3O3 — CID 1329832

IUPACN-(2-methyl-4-oxoquinazolin-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)Nn2c(C)nc3ccccc3c2=O)c1
InChIInChI=1S/C21H23N3O3/c1-13(2)16-10-9-14(3)11-19(16)27-12-20(25)23-24-15(4)22-18-8-6-5-7-17(18)21(24)26/h5-11,13H,12H2,1-4H3,(H,23,25)
InChIKeyZGFLMYWCPXLGNB-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.29
Rot. Bonds5

About N-(2-methyl-4-oxoquinazolin-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

N-(2-methyl-4-oxoquinazolin-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (PubChem CID 1329832) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-(2-methyl-4-oxoquinazolin-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-methyl-4-oxoquinazolin-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
PubChem CID1329832
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-(2-methyl-4-oxoquinazolin-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)Nn2c(C)nc3ccccc3c2=O)c1
InChIInChI=1S/C21H23N3O3/c1-13(2)16-10-9-14(3)11-19(16)27-12-20(25)23-24-15(4)22-18-8-6-5-7-17(18)21(24)26/h5-11,13H,12H2,1-4H3,(H,23,25)
InChIKeyZGFLMYWCPXLGNB-UHFFFAOYSA-N
XLogP3.29
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-oxoquinazolin-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(2-methyl-4-oxoquinazolin-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (CID 1329832) is N-(2-methyl-4-oxoquinazolin-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(2-methyl-4-oxoquinazolin-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(2-methyl-4-oxoquinazolin-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is Cc1ccc(C(C)C)c(OCC(=O)Nn2c(C)nc3ccccc3c2=O)c1.
What is the InChIKey of N-(2-methyl-4-oxoquinazolin-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The InChIKey is ZGFLMYWCPXLGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-13(2)16-10-9-14(3)11-19(16)27-12-20(25)23-24-15(4)22-18-8-6-5-7-17(18)21(24)26/h5-11,13H,12H2,1-4H3,(H,23,25).
What are the key properties of N-(2-methyl-4-oxoquinazolin-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
N-(2-methyl-4-oxoquinazolin-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide has a molecular weight of 365.43 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-oxoquinazolin-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 1329832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).