3-(3,4-dimethylphenyl)-2-[1-[1-(4-methoxyphenyl)ethenyl-propylamino]propyl]quinazolin-4-one

C31H35N3O2 — CID 89056372

IUPAC3-(3,4-dimethylphenyl)-2-[1-[1-(4-methoxyphenyl)ethenyl-propylamino]propyl]quinazolin-4-one
SMILESC=C(c1ccc(OC)cc1)N(CCC)C(CC)c1nc2ccccc2c(=O)n1-c1ccc(C)c(C)c1
InChIInChI=1S/C31H35N3O2/c1-7-19-33(23(5)24-14-17-26(36-6)18-15-24)29(8-2)30-32-28-12-10-9-11-27(28)31(35)34(30)25-16-13-21(3)22(4)20-25/h9-18,20,29H,5,7-8,19H2,1-4,6H3
InChIKeyLJAFXGPYWLOKQC-UHFFFAOYSA-N
MW481.64 g/mol
LogP6.85
Rot. Bonds9

About 3-(3,4-dimethylphenyl)-2-[1-[1-(4-methoxyphenyl)ethenyl-propylamino]propyl]quinazolin-4-one

3-(3,4-dimethylphenyl)-2-[1-[1-(4-methoxyphenyl)ethenyl-propylamino]propyl]quinazolin-4-one (PubChem CID 89056372) has the molecular formula C31H35N3O2 and a molecular weight of 481.64 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-2-[1-[1-(4-methoxyphenyl)ethenyl-propylamino]propyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-2-[1-[1-(4-methoxyphenyl)ethenyl-propylamino]propyl]quinazolin-4-one
PubChem CID89056372
Molecular FormulaC31H35N3O2
Molecular Weight481.64 g/mol
Exact Mass481.27
IUPAC Name3-(3,4-dimethylphenyl)-2-[1-[1-(4-methoxyphenyl)ethenyl-propylamino]propyl]quinazolin-4-one
SMILESC=C(c1ccc(OC)cc1)N(CCC)C(CC)c1nc2ccccc2c(=O)n1-c1ccc(C)c(C)c1
InChIInChI=1S/C31H35N3O2/c1-7-19-33(23(5)24-14-17-26(36-6)18-15-24)29(8-2)30-32-28-12-10-9-11-27(28)31(35)34(30)25-16-13-21(3)22(4)20-25/h9-18,20,29H,5,7-8,19H2,1-4,6H3
InChIKeyLJAFXGPYWLOKQC-UHFFFAOYSA-N
XLogP6.85
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.64
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(3,4-dimethylphenyl)-2-[1-[1-(4-methoxyphenyl)ethenyl-propylamino]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

N-butyl-N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-4-methoxybenzamide
CID 3891922
N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2,2-diphenyl-N-propylacetamide
CID 42719240
N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylbutanamide
CID 42719333
N-benzyl-N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]naphthalene-2-carboxamide
CID 5227003
N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-phenylethyl)benzamide
CID 3897517
3-(2-methoxyphenyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-propylurea
CID 42718730
N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 3920095
2-chloro-N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-methylacetamide
CID 3905892
4-tert-butyl-N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexylbenzamide
CID 42719772
4-chloro-N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-phenylethyl)benzamide
CID 3969732
N-hexyl-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylbenzamide
CID 4545425
N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylcyclopropanecarboxamide
CID 42719339

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-2-[1-[1-(4-methoxyphenyl)ethenyl-propylamino]propyl]quinazolin-4-one?
The IUPAC name of 3-(3,4-dimethylphenyl)-2-[1-[1-(4-methoxyphenyl)ethenyl-propylamino]propyl]quinazolin-4-one (CID 89056372) is 3-(3,4-dimethylphenyl)-2-[1-[1-(4-methoxyphenyl)ethenyl-propylamino]propyl]quinazolin-4-one.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-2-[1-[1-(4-methoxyphenyl)ethenyl-propylamino]propyl]quinazolin-4-one?
The canonical SMILES for 3-(3,4-dimethylphenyl)-2-[1-[1-(4-methoxyphenyl)ethenyl-propylamino]propyl]quinazolin-4-one is C=C(c1ccc(OC)cc1)N(CCC)C(CC)c1nc2ccccc2c(=O)n1-c1ccc(C)c(C)c1.
What is the InChIKey of 3-(3,4-dimethylphenyl)-2-[1-[1-(4-methoxyphenyl)ethenyl-propylamino]propyl]quinazolin-4-one?
The InChIKey is LJAFXGPYWLOKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N3O2/c1-7-19-33(23(5)24-14-17-26(36-6)18-15-24)29(8-2)30-32-28-12-10-9-11-27(28)31(35)34(30)25-16-13-21(3)22(4)20-25/h9-18,20,29H,5,7-8,19H2,1-4,6H3.
What are the key properties of 3-(3,4-dimethylphenyl)-2-[1-[1-(4-methoxyphenyl)ethenyl-propylamino]propyl]quinazolin-4-one?
3-(3,4-dimethylphenyl)-2-[1-[1-(4-methoxyphenyl)ethenyl-propylamino]propyl]quinazolin-4-one has a molecular weight of 481.64 g/mol, XLogP of 6.85, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-2-[1-[1-(4-methoxyphenyl)ethenyl-propylamino]propyl]quinazolin-4-one is sourced from PubChem (CID 89056372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).