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

C25H20N4O5 — CID 53061240

IUPAC3-[(3-methoxyphenyl)methyl]-7-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione
SMILESCOc1cccc(Cn2c(=O)[nH]c3cc(-c4nc(-c5ccccc5OC)no4)ccc3c2=O)c1
InChIInChI=1S/C25H20N4O5/c1-32-17-7-5-6-15(12-17)14-29-24(30)18-11-10-16(13-20(18)26-25(29)31)23-27-22(28-34-23)19-8-3-4-9-21(19)33-2/h3-13H,14H2,1-2H3,(H,26,31)
InChIKeySPDGVEPVUVBFLW-UHFFFAOYSA-N
MW456.46 g/mol
LogP3.47
Rot. Bonds6

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

3-[(3-methoxyphenyl)methyl]-7-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione (PubChem CID 53061240) has the molecular formula C25H20N4O5 and a molecular weight of 456.46 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)methyl]-7-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)methyl]-7-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione
PubChem CID53061240
Molecular FormulaC25H20N4O5
Molecular Weight456.46 g/mol
Exact Mass456.14
IUPAC Name3-[(3-methoxyphenyl)methyl]-7-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione
SMILESCOc1cccc(Cn2c(=O)[nH]c3cc(-c4nc(-c5ccccc5OC)no4)ccc3c2=O)c1
InChIInChI=1S/C25H20N4O5/c1-32-17-7-5-6-15(12-17)14-29-24(30)18-11-10-16(13-20(18)26-25(29)31)23-27-22(28-34-23)19-8-3-4-9-21(19)33-2/h3-13H,14H2,1-2H3,(H,26,31)
InChIKeySPDGVEPVUVBFLW-UHFFFAOYSA-N
XLogP3.47
TPSA112.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.46
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenyl)methyl]-7-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[(3-methoxyphenyl)methyl]-7-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione (CID 53061240) is 3-[(3-methoxyphenyl)methyl]-7-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[(3-methoxyphenyl)methyl]-7-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[(3-methoxyphenyl)methyl]-7-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione is COc1cccc(Cn2c(=O)[nH]c3cc(-c4nc(-c5ccccc5OC)no4)ccc3c2=O)c1.
What is the InChIKey of 3-[(3-methoxyphenyl)methyl]-7-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione?
The InChIKey is SPDGVEPVUVBFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O5/c1-32-17-7-5-6-15(12-17)14-29-24(30)18-11-10-16(13-20(18)26-25(29)31)23-27-22(28-34-23)19-8-3-4-9-21(19)33-2/h3-13H,14H2,1-2H3,(H,26,31).
What are the key properties of 3-[(3-methoxyphenyl)methyl]-7-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione?
3-[(3-methoxyphenyl)methyl]-7-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione has a molecular weight of 456.46 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyphenyl)methyl]-7-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 53061240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).