7-[2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5H-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione

C21H18N4O6 — CID 50758417

IUPAC7-[2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5H-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione
SMILESCCOc1ccccc1-c1noc(CCn2c(=O)[nH]c3cc4c(cc3c2=O)OCO4)n1
InChIInChI=1S/C21H18N4O6/c1-2-28-15-6-4-3-5-12(15)19-23-18(31-24-19)7-8-25-20(26)13-9-16-17(30-11-29-16)10-14(13)22-21(25)27/h3-6,9-10H,2,7-8,11H2,1H3,(H,22,27)
InChIKeyLRXUIGLBKLBDKT-UHFFFAOYSA-N
MW422.40 g/mol
LogP2.11
Rot. Bonds6

About 7-[2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5H-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione

7-[2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5H-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione (PubChem CID 50758417) has the molecular formula C21H18N4O6 and a molecular weight of 422.40 g/mol. Its IUPAC name is 7-[2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5H-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione.

Molecular Properties

Compound Name7-[2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5H-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione
PubChem CID50758417
Molecular FormulaC21H18N4O6
Molecular Weight422.40 g/mol
Exact Mass422.12
IUPAC Name7-[2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5H-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione
SMILESCCOc1ccccc1-c1noc(CCn2c(=O)[nH]c3cc4c(cc3c2=O)OCO4)n1
InChIInChI=1S/C21H18N4O6/c1-2-28-15-6-4-3-5-12(15)19-23-18(31-24-19)7-8-25-20(26)13-9-16-17(30-11-29-16)10-14(13)22-21(25)27/h3-6,9-10H,2,7-8,11H2,1H3,(H,22,27)
InChIKeyLRXUIGLBKLBDKT-UHFFFAOYSA-N
XLogP2.11
TPSA121.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.40
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-[2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5H-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione with MolForge

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Related Compounds

7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5H-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione
CID 27373586
6-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-7-methyl-[1,3]dioxolo[4,5-g]quinazolin-8-one
CID 45498668
1-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2-methylpropyl)quinazoline-2,4-dione
CID 30850052
N-[2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
CID 115533103
[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(3-methyl-2-oxobenzimidazol-1-yl)acetate
CID 41296954
3-butan-2-yl-1-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazoline-2,4-dione
CID 53100980
N-benzyl-4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 2991422
7-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-(2-phenylethyl)-1H-quinazoline-2,4-dione
CID 53061396
2-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-(3-methoxypropyl)quinazolin-4-one
CID 41429747
3-(2-ethoxyphenyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 75539076
2-bromo-N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 25349628
3-butyl-7-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione
CID 53061269

Frequently Asked Questions

What is the IUPAC name of 7-[2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5H-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione?
The IUPAC name of 7-[2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5H-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione (CID 50758417) is 7-[2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5H-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione.
What is the SMILES notation for 7-[2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5H-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione?
The canonical SMILES for 7-[2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5H-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione is CCOc1ccccc1-c1noc(CCn2c(=O)[nH]c3cc4c(cc3c2=O)OCO4)n1.
What is the InChIKey of 7-[2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5H-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione?
The InChIKey is LRXUIGLBKLBDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O6/c1-2-28-15-6-4-3-5-12(15)19-23-18(31-24-19)7-8-25-20(26)13-9-16-17(30-11-29-16)10-14(13)22-21(25)27/h3-6,9-10H,2,7-8,11H2,1H3,(H,22,27).
What are the key properties of 7-[2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5H-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione?
7-[2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5H-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione has a molecular weight of 422.40 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5H-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione is sourced from PubChem (CID 50758417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).