N-ethyl-2-(2-ethyl-4-oxoquinazolin-3-yl)-N-(3-methylphenyl)acetamide

C21H23N3O2 — CID 45030789

IUPACN-ethyl-2-(2-ethyl-4-oxoquinazolin-3-yl)-N-(3-methylphenyl)acetamide
SMILESCCc1nc2ccccc2c(=O)n1CC(=O)N(CC)c1cccc(C)c1
InChIInChI=1S/C21H23N3O2/c1-4-19-22-18-12-7-6-11-17(18)21(26)24(19)14-20(25)23(5-2)16-10-8-9-15(3)13-16/h6-13H,4-5,14H2,1-3H3
InChIKeyQFKIFCOZWNYKQE-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.32
Rot. Bonds5

About N-ethyl-2-(2-ethyl-4-oxoquinazolin-3-yl)-N-(3-methylphenyl)acetamide

N-ethyl-2-(2-ethyl-4-oxoquinazolin-3-yl)-N-(3-methylphenyl)acetamide (PubChem CID 45030789) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-ethyl-2-(2-ethyl-4-oxoquinazolin-3-yl)-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(2-ethyl-4-oxoquinazolin-3-yl)-N-(3-methylphenyl)acetamide
PubChem CID45030789
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-ethyl-2-(2-ethyl-4-oxoquinazolin-3-yl)-N-(3-methylphenyl)acetamide
SMILESCCc1nc2ccccc2c(=O)n1CC(=O)N(CC)c1cccc(C)c1
InChIInChI=1S/C21H23N3O2/c1-4-19-22-18-12-7-6-11-17(18)21(26)24(19)14-20(25)23(5-2)16-10-8-9-15(3)13-16/h6-13H,4-5,14H2,1-3H3
InChIKeyQFKIFCOZWNYKQE-UHFFFAOYSA-N
XLogP3.32
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-ethyl-2-(2-ethyl-4-oxoquinazolin-3-yl)-N-(3-methylphenyl)acetamide 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 N-ethyl-2-(2-ethyl-4-oxoquinazolin-3-yl)-N-(3-methylphenyl)acetamide?
The IUPAC name of N-ethyl-2-(2-ethyl-4-oxoquinazolin-3-yl)-N-(3-methylphenyl)acetamide (CID 45030789) is N-ethyl-2-(2-ethyl-4-oxoquinazolin-3-yl)-N-(3-methylphenyl)acetamide.
What is the SMILES notation for N-ethyl-2-(2-ethyl-4-oxoquinazolin-3-yl)-N-(3-methylphenyl)acetamide?
The canonical SMILES for N-ethyl-2-(2-ethyl-4-oxoquinazolin-3-yl)-N-(3-methylphenyl)acetamide is CCc1nc2ccccc2c(=O)n1CC(=O)N(CC)c1cccc(C)c1.
What is the InChIKey of N-ethyl-2-(2-ethyl-4-oxoquinazolin-3-yl)-N-(3-methylphenyl)acetamide?
The InChIKey is QFKIFCOZWNYKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-4-19-22-18-12-7-6-11-17(18)21(26)24(19)14-20(25)23(5-2)16-10-8-9-15(3)13-16/h6-13H,4-5,14H2,1-3H3.
What are the key properties of N-ethyl-2-(2-ethyl-4-oxoquinazolin-3-yl)-N-(3-methylphenyl)acetamide?
N-ethyl-2-(2-ethyl-4-oxoquinazolin-3-yl)-N-(3-methylphenyl)acetamide has a molecular weight of 349.43 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-ethyl-4-oxoquinazolin-3-yl)-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 45030789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).