7-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-(2-phenylethyl)-1H-quinazoline-2,4-dione

C26H22N4O5 — CID 53061396

IUPAC7-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-(2-phenylethyl)-1H-quinazoline-2,4-dione
SMILESCOc1ccc(-c2noc(-c3ccc4c(=O)n(CCc5ccccc5)c(=O)[nH]c4c3)n2)c(OC)c1
InChIInChI=1S/C26H22N4O5/c1-33-18-9-11-20(22(15-18)34-2)23-28-24(35-29-23)17-8-10-19-21(14-17)27-26(32)30(25(19)31)13-12-16-6-4-3-5-7-16/h3-11,14-15H,12-13H2,1-2H3,(H,27,32)
InChIKeyCEOVXDLXWJCNGU-UHFFFAOYSA-N
MW470.49 g/mol
LogP3.67
Rot. Bonds7

About 7-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-(2-phenylethyl)-1H-quinazoline-2,4-dione

7-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-(2-phenylethyl)-1H-quinazoline-2,4-dione (PubChem CID 53061396) has the molecular formula C26H22N4O5 and a molecular weight of 470.49 g/mol. Its IUPAC name is 7-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-(2-phenylethyl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name7-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-(2-phenylethyl)-1H-quinazoline-2,4-dione
PubChem CID53061396
Molecular FormulaC26H22N4O5
Molecular Weight470.49 g/mol
Exact Mass470.16
IUPAC Name7-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-(2-phenylethyl)-1H-quinazoline-2,4-dione
SMILESCOc1ccc(-c2noc(-c3ccc4c(=O)n(CCc5ccccc5)c(=O)[nH]c4c3)n2)c(OC)c1
InChIInChI=1S/C26H22N4O5/c1-33-18-9-11-20(22(15-18)34-2)23-28-24(35-29-23)17-8-10-19-21(14-17)27-26(32)30(25(19)31)13-12-16-6-4-3-5-7-16/h3-11,14-15H,12-13H2,1-2H3,(H,27,32)
InChIKeyCEOVXDLXWJCNGU-UHFFFAOYSA-N
XLogP3.67
TPSA112.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.49
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-[(3-methoxyphenyl)methyl]-7-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione
CID 53061240
3-butyl-7-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione
CID 53061269
3-(3-phenylpropyl)-7-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione
CID 53061324
3-(3-phenylpropyl)-7-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione
CID 53061322
7-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-methoxyethyl)-1H-quinazoline-2,4-dione
CID 53061281
3-[(4-fluorophenyl)methyl]-7-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-quinazoline-2,4-dione
CID 53061368
3-benzyl-7-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione
CID 53061229
3-(4-methoxyphenyl)-7-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione
CID 53061213
3-[(4-methylphenyl)methyl]-7-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione
CID 53061337
3-[(3-chlorophenyl)methyl]-7-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione
CID 53061366
7-(2-hydroxy-4-methoxyphenyl)-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 146048739
3-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-7-methoxy-1H-quinazoline-2,4-dione
CID 167968805

Frequently Asked Questions

What is the IUPAC name of 7-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-(2-phenylethyl)-1H-quinazoline-2,4-dione?
The IUPAC name of 7-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-(2-phenylethyl)-1H-quinazoline-2,4-dione (CID 53061396) is 7-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-(2-phenylethyl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 7-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-(2-phenylethyl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 7-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-(2-phenylethyl)-1H-quinazoline-2,4-dione is COc1ccc(-c2noc(-c3ccc4c(=O)n(CCc5ccccc5)c(=O)[nH]c4c3)n2)c(OC)c1.
What is the InChIKey of 7-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-(2-phenylethyl)-1H-quinazoline-2,4-dione?
The InChIKey is CEOVXDLXWJCNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O5/c1-33-18-9-11-20(22(15-18)34-2)23-28-24(35-29-23)17-8-10-19-21(14-17)27-26(32)30(25(19)31)13-12-16-6-4-3-5-7-16/h3-11,14-15H,12-13H2,1-2H3,(H,27,32).
What are the key properties of 7-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-(2-phenylethyl)-1H-quinazoline-2,4-dione?
7-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-(2-phenylethyl)-1H-quinazoline-2,4-dione has a molecular weight of 470.49 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-(2-phenylethyl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 53061396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).