3-(3,4-dimethylphenyl)-1-[(3-methylphenyl)methyl]quinazoline-2,4-dione

C24H22N2O2 — CID 95922194

IUPAC3-(3,4-dimethylphenyl)-1-[(3-methylphenyl)methyl]quinazoline-2,4-dione
SMILESCc1cccc(Cn2c(=O)n(-c3ccc(C)c(C)c3)c(=O)c3ccccc32)c1
InChIInChI=1S/C24H22N2O2/c1-16-7-6-8-19(13-16)15-25-22-10-5-4-9-21(22)23(27)26(24(25)28)20-12-11-17(2)18(3)14-20/h4-14H,15H2,1-3H3
InChIKeyFJNWULCAEZBKED-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.13
Rot. Bonds3

About 3-(3,4-dimethylphenyl)-1-[(3-methylphenyl)methyl]quinazoline-2,4-dione

3-(3,4-dimethylphenyl)-1-[(3-methylphenyl)methyl]quinazoline-2,4-dione (PubChem CID 95922194) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-1-[(3-methylphenyl)methyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-1-[(3-methylphenyl)methyl]quinazoline-2,4-dione
PubChem CID95922194
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name3-(3,4-dimethylphenyl)-1-[(3-methylphenyl)methyl]quinazoline-2,4-dione
SMILESCc1cccc(Cn2c(=O)n(-c3ccc(C)c(C)c3)c(=O)c3ccccc32)c1
InChIInChI=1S/C24H22N2O2/c1-16-7-6-8-19(13-16)15-25-22-10-5-4-9-21(22)23(27)26(24(25)28)20-12-11-17(2)18(3)14-20/h4-14H,15H2,1-3H3
InChIKeyFJNWULCAEZBKED-UHFFFAOYSA-N
XLogP4.13
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chlorophenyl)-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione
CID 17147921
3-(3,4-dichlorophenyl)-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione
CID 17159912
6-bromo-3-(3-chlorophenyl)-1-[(3-methylphenyl)methyl]quinazoline-2,4-dione
CID 17190267
methane;9-[(3-methylphenyl)methyl]carbazole
CID 159308792
2-[3-(3,4-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 95917137
1-[(3-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)quinazoline-2,4-dione
CID 15989209
1-[(3,4-dimethylphenyl)methyl]-3,4-dimethylquinolin-2-one
CID 71397212
2-[4-[1-[(3-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide
CID 50763161
3-(4-methoxyphenyl)-1-[(3-nitrophenyl)methyl]quinazoline-2,4-dione
CID 46247353
3-(3,4-dimethylphenyl)-N,N-diethyl-5-methyl-1-[(3-methylphenyl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide
CID 5063398
1-benzyl-3-(3-methylphenyl)thieno[3,2-d]pyrimidine-2,4-dione
CID 53331547
1-methyl-6-(4-methylphenyl)-4-[(3-methylphenyl)methyl]pyrazolo[4,5-d]pyrimidine-5,7-dione
CID 45106017

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-1-[(3-methylphenyl)methyl]quinazoline-2,4-dione?
The IUPAC name of 3-(3,4-dimethylphenyl)-1-[(3-methylphenyl)methyl]quinazoline-2,4-dione (CID 95922194) is 3-(3,4-dimethylphenyl)-1-[(3-methylphenyl)methyl]quinazoline-2,4-dione.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-1-[(3-methylphenyl)methyl]quinazoline-2,4-dione?
The canonical SMILES for 3-(3,4-dimethylphenyl)-1-[(3-methylphenyl)methyl]quinazoline-2,4-dione is Cc1cccc(Cn2c(=O)n(-c3ccc(C)c(C)c3)c(=O)c3ccccc32)c1.
What is the InChIKey of 3-(3,4-dimethylphenyl)-1-[(3-methylphenyl)methyl]quinazoline-2,4-dione?
The InChIKey is FJNWULCAEZBKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-16-7-6-8-19(13-16)15-25-22-10-5-4-9-21(22)23(27)26(24(25)28)20-12-11-17(2)18(3)14-20/h4-14H,15H2,1-3H3.
What are the key properties of 3-(3,4-dimethylphenyl)-1-[(3-methylphenyl)methyl]quinazoline-2,4-dione?
3-(3,4-dimethylphenyl)-1-[(3-methylphenyl)methyl]quinazoline-2,4-dione has a molecular weight of 370.45 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-1-[(3-methylphenyl)methyl]quinazoline-2,4-dione is sourced from PubChem (CID 95922194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).