N,N-diethyl-2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]acetamide

C21H23N3O2 — CID 4079953

IUPACN,N-diethyl-2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]acetamide
SMILESCCN(CC)C(=O)Cn1c(-c2cccc(C)c2)nc2ccccc2c1=O
InChIInChI=1S/C21H23N3O2/c1-4-23(5-2)19(25)14-24-20(16-10-8-9-15(3)13-16)22-18-12-7-6-11-17(18)21(24)26/h6-13H,4-5,14H2,1-3H3
InChIKeyHJPVYFFXUGCEDX-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.24
Rot. Bonds5

About N,N-diethyl-2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]acetamide

N,N-diethyl-2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]acetamide (PubChem CID 4079953) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N,N-diethyl-2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]acetamide
PubChem CID4079953
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN,N-diethyl-2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]acetamide
SMILESCCN(CC)C(=O)Cn1c(-c2cccc(C)c2)nc2ccccc2c1=O
InChIInChI=1S/C21H23N3O2/c1-4-23(5-2)19(25)14-24-20(16-10-8-9-15(3)13-16)22-18-12-7-6-11-17(18)21(24)26/h6-13H,4-5,14H2,1-3H3
InChIKeyHJPVYFFXUGCEDX-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-diethyl-2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]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,N-diethyl-2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]acetamide (CID 4079953) is N,N-diethyl-2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]acetamide is CCN(CC)C(=O)Cn1c(-c2cccc(C)c2)nc2ccccc2c1=O.
What is the InChIKey of N,N-diethyl-2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]acetamide?
The InChIKey is HJPVYFFXUGCEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-4-23(5-2)19(25)14-24-20(16-10-8-9-15(3)13-16)22-18-12-7-6-11-17(18)21(24)26/h6-13H,4-5,14H2,1-3H3.
What are the key properties of N,N-diethyl-2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]acetamide?
N,N-diethyl-2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]acetamide has a molecular weight of 349.43 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]acetamide is sourced from PubChem (CID 4079953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).