3-(2,4-dimethylphenyl)-2-[1-(methylamino)propyl]quinazolin-4-one

C20H23N3O — CID 42711270

IUPAC3-(2,4-dimethylphenyl)-2-[1-(methylamino)propyl]quinazolin-4-one
SMILESCCC(NC)c1nc2ccccc2c(=O)n1-c1ccc(C)cc1C
InChIInChI=1S/C20H23N3O/c1-5-16(21-4)19-22-17-9-7-6-8-15(17)20(24)23(19)18-11-10-13(2)12-14(18)3/h6-12,16,21H,5H2,1-4H3
InChIKeyKWZXBNCMYYDFDL-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.67
Rot. Bonds4

About 3-(2,4-dimethylphenyl)-2-[1-(methylamino)propyl]quinazolin-4-one

3-(2,4-dimethylphenyl)-2-[1-(methylamino)propyl]quinazolin-4-one (PubChem CID 42711270) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-2-[1-(methylamino)propyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-2-[1-(methylamino)propyl]quinazolin-4-one
PubChem CID42711270
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name3-(2,4-dimethylphenyl)-2-[1-(methylamino)propyl]quinazolin-4-one
SMILESCCC(NC)c1nc2ccccc2c(=O)n1-c1ccc(C)cc1C
InChIInChI=1S/C20H23N3O/c1-5-16(21-4)19-22-17-9-7-6-8-15(17)20(24)23(19)18-11-10-13(2)12-14(18)3/h6-12,16,21H,5H2,1-4H3
InChIKeyKWZXBNCMYYDFDL-UHFFFAOYSA-N
XLogP3.67
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2,4-dimethylphenyl)-2-[1-(methylamino)propyl]quinazolin-4-one 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

benzyl-[(1R)-1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]azanium
CID 7326981
N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethyl-2-methylpropanamide
CID 42719958
3-benzyl-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methylurea
CID 42722246
N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylbutanamide
CID 42719955
1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methyl-3-naphthalen-1-ylurea
CID 3478926
2-(aminomethyl)-3-(2,4-dimethylphenyl)quinazolin-4-one
CID 69101971
N-benzyl-N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]propanamide
CID 42720540
N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethyl-2-phenoxyacetamide
CID 42723382
N-[(1R)-1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-methyl-N-(2-methylpropyl)butanamide
CID 7236971
N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3,3-dimethyl-N-propylbutanamide
CID 42720522
2-[1-(benzylamino)ethyl]-3-(2,5-dimethylphenyl)quinazolin-4-one
CID 3997986
3-(2,4-dichlorophenyl)-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methylurea
CID 4319626

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-2-[1-(methylamino)propyl]quinazolin-4-one?
The IUPAC name of 3-(2,4-dimethylphenyl)-2-[1-(methylamino)propyl]quinazolin-4-one (CID 42711270) is 3-(2,4-dimethylphenyl)-2-[1-(methylamino)propyl]quinazolin-4-one.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-2-[1-(methylamino)propyl]quinazolin-4-one?
The canonical SMILES for 3-(2,4-dimethylphenyl)-2-[1-(methylamino)propyl]quinazolin-4-one is CCC(NC)c1nc2ccccc2c(=O)n1-c1ccc(C)cc1C.
What is the InChIKey of 3-(2,4-dimethylphenyl)-2-[1-(methylamino)propyl]quinazolin-4-one?
The InChIKey is KWZXBNCMYYDFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-5-16(21-4)19-22-17-9-7-6-8-15(17)20(24)23(19)18-11-10-13(2)12-14(18)3/h6-12,16,21H,5H2,1-4H3.
What are the key properties of 3-(2,4-dimethylphenyl)-2-[1-(methylamino)propyl]quinazolin-4-one?
3-(2,4-dimethylphenyl)-2-[1-(methylamino)propyl]quinazolin-4-one has a molecular weight of 321.42 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-2-[1-(methylamino)propyl]quinazolin-4-one is sourced from PubChem (CID 42711270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).