3-(2,4-dimethoxyphenyl)-1-[(3-fluorophenyl)methyl]quinazoline-2,4-dione

C23H19FN2O4 — CID 22423456

IUPAC3-(2,4-dimethoxyphenyl)-1-[(3-fluorophenyl)methyl]quinazoline-2,4-dione
SMILESCOc1ccc(-n2c(=O)c3ccccc3n(Cc3cccc(F)c3)c2=O)c(OC)c1
InChIInChI=1S/C23H19FN2O4/c1-29-17-10-11-20(21(13-17)30-2)26-22(27)18-8-3-4-9-19(18)25(23(26)28)14-15-6-5-7-16(24)12-15/h3-13H,14H2,1-2H3
InChIKeyXKVPLKJEXOJLBF-UHFFFAOYSA-N
MW406.41 g/mol
LogP3.36
Rot. Bonds5

About 3-(2,4-dimethoxyphenyl)-1-[(3-fluorophenyl)methyl]quinazoline-2,4-dione

3-(2,4-dimethoxyphenyl)-1-[(3-fluorophenyl)methyl]quinazoline-2,4-dione (PubChem CID 22423456) has the molecular formula C23H19FN2O4 and a molecular weight of 406.41 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-1-[(3-fluorophenyl)methyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-1-[(3-fluorophenyl)methyl]quinazoline-2,4-dione
PubChem CID22423456
Molecular FormulaC23H19FN2O4
Molecular Weight406.41 g/mol
Exact Mass406.13
IUPAC Name3-(2,4-dimethoxyphenyl)-1-[(3-fluorophenyl)methyl]quinazoline-2,4-dione
SMILESCOc1ccc(-n2c(=O)c3ccccc3n(Cc3cccc(F)c3)c2=O)c(OC)c1
InChIInChI=1S/C23H19FN2O4/c1-29-17-10-11-20(21(13-17)30-2)26-22(27)18-8-3-4-9-19(18)25(23(26)28)14-15-6-5-7-16(24)12-15/h3-13H,14H2,1-2H3
InChIKeyXKVPLKJEXOJLBF-UHFFFAOYSA-N
XLogP3.36
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-methoxyphenyl)-1-[(3-nitrophenyl)methyl]quinazoline-2,4-dione
CID 46247353
2-[4-[1-[(3-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide
CID 50763161
1-[(3-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)quinazoline-2,4-dione
CID 15989209
3-[(3-methoxyphenyl)methyl]-1-methylquinazoline-2,4-dione
CID 91254141
5-[(3-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]pyrimido[5,4-b]indol-4-one
CID 53026380
1-[(3-fluorophenyl)methyl]-3-[[(3-methoxyphenyl)methylamino]methyl]indole-2-carboxylic acid
CID 53208418
1-benzyl-3-(2,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione
CID 22423602
3-(3,4-dimethylphenyl)-1-[(3-methylphenyl)methyl]quinazoline-2,4-dione
CID 95922194
2-[(3-fluorophenyl)methylsulfanyl]-3-[(3-methoxyphenyl)methyl]quinazolin-4-one
CID 51365392
10-benzyl-3-methoxyacridin-9-one
CID 12751573
2-[4-[1-[(3-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(thiophen-2-ylmethyl)acetamide
CID 50762613
1-[(4-nitrophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)quinazoline-2,4-dione
CID 46247349

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-1-[(3-fluorophenyl)methyl]quinazoline-2,4-dione?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-1-[(3-fluorophenyl)methyl]quinazoline-2,4-dione (CID 22423456) is 3-(2,4-dimethoxyphenyl)-1-[(3-fluorophenyl)methyl]quinazoline-2,4-dione.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-1-[(3-fluorophenyl)methyl]quinazoline-2,4-dione?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-1-[(3-fluorophenyl)methyl]quinazoline-2,4-dione is COc1ccc(-n2c(=O)c3ccccc3n(Cc3cccc(F)c3)c2=O)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-1-[(3-fluorophenyl)methyl]quinazoline-2,4-dione?
The InChIKey is XKVPLKJEXOJLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O4/c1-29-17-10-11-20(21(13-17)30-2)26-22(27)18-8-3-4-9-19(18)25(23(26)28)14-15-6-5-7-16(24)12-15/h3-13H,14H2,1-2H3.
What are the key properties of 3-(2,4-dimethoxyphenyl)-1-[(3-fluorophenyl)methyl]quinazoline-2,4-dione?
3-(2,4-dimethoxyphenyl)-1-[(3-fluorophenyl)methyl]quinazoline-2,4-dione has a molecular weight of 406.41 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-1-[(3-fluorophenyl)methyl]quinazoline-2,4-dione is sourced from PubChem (CID 22423456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).