2-(4-methoxyphenyl)-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)acetamide

C20H21N3O3 — CID 71703128

IUPAC2-(4-methoxyphenyl)-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc3ncn(C(C)C)c(=O)c3c2)cc1
InChIInChI=1S/C20H21N3O3/c1-13(2)23-12-21-18-9-6-15(11-17(18)20(23)25)22-19(24)10-14-4-7-16(26-3)8-5-14/h4-9,11-13H,10H2,1-3H3,(H,22,24)
InChIKeyHWJMIWKULODLND-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.17
Rot. Bonds5

About 2-(4-methoxyphenyl)-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)acetamide

2-(4-methoxyphenyl)-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)acetamide (PubChem CID 71703128) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)acetamide
PubChem CID71703128
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name2-(4-methoxyphenyl)-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc3ncn(C(C)C)c(=O)c3c2)cc1
InChIInChI=1S/C20H21N3O3/c1-13(2)23-12-21-18-9-6-15(11-17(18)20(23)25)22-19(24)10-14-4-7-16(26-3)8-5-14/h4-9,11-13H,10H2,1-3H3,(H,22,24)
InChIKeyHWJMIWKULODLND-UHFFFAOYSA-N
XLogP3.17
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)acetamide (CID 71703128) is 2-(4-methoxyphenyl)-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)acetamide is COc1ccc(CC(=O)Nc2ccc3ncn(C(C)C)c(=O)c3c2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)acetamide?
The InChIKey is HWJMIWKULODLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13(2)23-12-21-18-9-6-15(11-17(18)20(23)25)22-19(24)10-14-4-7-16(26-3)8-5-14/h4-9,11-13H,10H2,1-3H3,(H,22,24).
What are the key properties of 2-(4-methoxyphenyl)-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)acetamide?
2-(4-methoxyphenyl)-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)acetamide has a molecular weight of 351.41 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)acetamide is sourced from PubChem (CID 71703128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).