3-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]propanamide

C20H20BrN3O2 — CID 38046402

IUPAC3-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CN(C)C(=O)CCn2cnc3ccc(Br)cc3c2=O)cc1
InChIInChI=1S/C20H20BrN3O2/c1-14-3-5-15(6-4-14)12-23(2)19(25)9-10-24-13-22-18-8-7-16(21)11-17(18)20(24)26/h3-8,11,13H,9-10,12H2,1-2H3
InChIKeyZTUHIKFXPKBJDC-UHFFFAOYSA-N
MW414.30 g/mol
LogP3.52
Rot. Bonds5

About 3-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]propanamide

3-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 38046402) has the molecular formula C20H20BrN3O2 and a molecular weight of 414.30 g/mol. Its IUPAC name is 3-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]propanamide
PubChem CID38046402
Molecular FormulaC20H20BrN3O2
Molecular Weight414.30 g/mol
Exact Mass413.07
IUPAC Name3-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CN(C)C(=O)CCn2cnc3ccc(Br)cc3c2=O)cc1
InChIInChI=1S/C20H20BrN3O2/c1-14-3-5-15(6-4-14)12-23(2)19(25)9-10-24-13-22-18-8-7-16(21)11-17(18)20(24)26/h3-8,11,13H,9-10,12H2,1-2H3
InChIKeyZTUHIKFXPKBJDC-UHFFFAOYSA-N
XLogP3.52
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.30
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(6-bromo-4-oxoquinazolin-3-yl)-N-methoxy-N-methylpropanamide
CID 51331711
methyl 4-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoyl-methylamino]butanoate
CID 36627249
3-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-pentan-3-ylpropanamide
CID 55571699
3-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide
CID 55512357
3-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 43045414
2-(6-chloro-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 7587513
3-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 30292156
N-[(4-fluorophenyl)methyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 51272205
3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]propanamide
CID 112808828
3-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopentyl-N-ethylpropanamide
CID 134061062
N-methyl-N-[(4-methylphenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 4809022
N-benzyl-3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-methylpropanamide
CID 39338198

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]propanamide (CID 38046402) is 3-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]propanamide is Cc1ccc(CN(C)C(=O)CCn2cnc3ccc(Br)cc3c2=O)cc1.
What is the InChIKey of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is ZTUHIKFXPKBJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O2/c1-14-3-5-15(6-4-14)12-23(2)19(25)9-10-24-13-22-18-8-7-16(21)11-17(18)20(24)26/h3-8,11,13H,9-10,12H2,1-2H3.
What are the key properties of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]propanamide?
3-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 414.30 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 38046402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).