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

C18H12N4O5 — CID 27373586

IUPAC7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5H-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione
SMILESO=c1[nH]c2cc3c(cc2c(=O)n1Cc1nc(-c2ccccc2)no1)OCO3
InChIInChI=1S/C18H12N4O5/c23-17-11-6-13-14(26-9-25-13)7-12(11)19-18(24)22(17)8-15-20-16(21-27-15)10-4-2-1-3-5-10/h1-7H,8-9H2,(H,19,24)
InChIKeyJQHZOKRHSMKFMZ-UHFFFAOYSA-N
MW364.32 g/mol
LogP1.52
Rot. Bonds3

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

7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5H-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione (PubChem CID 27373586) has the molecular formula C18H12N4O5 and a molecular weight of 364.32 g/mol. Its IUPAC name is 7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5H-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione.

Molecular Properties

Compound Name7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5H-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione
PubChem CID27373586
Molecular FormulaC18H12N4O5
Molecular Weight364.32 g/mol
Exact Mass364.08
IUPAC Name7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5H-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione
SMILESO=c1[nH]c2cc3c(cc2c(=O)n1Cc1nc(-c2ccccc2)no1)OCO3
InChIInChI=1S/C18H12N4O5/c23-17-11-6-13-14(26-9-25-13)7-12(11)19-18(24)22(17)8-15-20-16(21-27-15)10-4-2-1-3-5-10/h1-7H,8-9H2,(H,19,24)
InChIKeyJQHZOKRHSMKFMZ-UHFFFAOYSA-N
XLogP1.52
TPSA112.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione
CID 20918643
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
3-[(4-fluorophenyl)methyl]-7-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-quinazoline-2,4-dione
CID 53061368
7-[[(2R)-oxolan-2-yl]methyl]-6-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-[1,3]dioxolo[4,5-g]quinazolin-8-one
CID 92896257
3-benzyl-7-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione
CID 53061229
3-[(2-fluorophenyl)methyl]-7-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione
CID 53061332
3-[(2R)-butan-2-yl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]quinazoline-2,4-dione
CID 30850022
3-(1,3-benzodioxol-5-ylmethyl)-2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-one
CID 122243115
4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one
CID 8962629
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 2231244
3-ethyl-1,7,8,9-tetrahydro-[1,4]dioxepino[2,3-g]quinazoline-2,4-dione
CID 115587404
7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4,4a,5,8a,9,9a-hexahydro-3aH-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione
CID 74526601

Frequently Asked Questions

What is the IUPAC name of 7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5H-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione?
The IUPAC name of 7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5H-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione (CID 27373586) is 7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5H-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione.
What is the SMILES notation for 7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5H-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione?
The canonical SMILES for 7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5H-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione is O=c1[nH]c2cc3c(cc2c(=O)n1Cc1nc(-c2ccccc2)no1)OCO3.
What is the InChIKey of 7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5H-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione?
The InChIKey is JQHZOKRHSMKFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O5/c23-17-11-6-13-14(26-9-25-13)7-12(11)19-18(24)22(17)8-15-20-16(21-27-15)10-4-2-1-3-5-10/h1-7H,8-9H2,(H,19,24).
What are the key properties of 7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5H-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione?
7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5H-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione has a molecular weight of 364.32 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5H-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione is sourced from PubChem (CID 27373586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).