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

C23H19ClN4O6 — CID 52910850

IUPAC5-[2-(4-chlorophenyl)-2-oxoethyl]-7-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione
SMILESCc1noc(CCCn2c(=O)c3cc4c(cc3n(CC(=O)c3ccc(Cl)cc3)c2=O)OCO4)n1
InChIInChI=1S/C23H19ClN4O6/c1-13-25-21(34-26-13)3-2-8-27-22(30)16-9-19-20(33-12-32-19)10-17(16)28(23(27)31)11-18(29)14-4-6-15(24)7-5-14/h4-7,9-10H,2-3,8,11-12H2,1H3
InChIKeyZAUQZVXNKCTSOU-UHFFFAOYSA-N
MW482.88 g/mol
LogP2.75
Rot. Bonds7

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

5-[2-(4-chlorophenyl)-2-oxoethyl]-7-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione (PubChem CID 52910850) has the molecular formula C23H19ClN4O6 and a molecular weight of 482.88 g/mol. Its IUPAC name is 5-[2-(4-chlorophenyl)-2-oxoethyl]-7-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione.

Molecular Properties

Compound Name5-[2-(4-chlorophenyl)-2-oxoethyl]-7-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione
PubChem CID52910850
Molecular FormulaC23H19ClN4O6
Molecular Weight482.88 g/mol
Exact Mass482.10
IUPAC Name5-[2-(4-chlorophenyl)-2-oxoethyl]-7-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione
SMILESCc1noc(CCCn2c(=O)c3cc4c(cc3n(CC(=O)c3ccc(Cl)cc3)c2=O)OCO4)n1
InChIInChI=1S/C23H19ClN4O6/c1-13-25-21(34-26-13)3-2-8-27-22(30)16-9-19-20(33-12-32-19)10-17(16)28(23(27)31)11-18(29)14-4-6-15(24)7-5-14/h4-7,9-10H,2-3,8,11-12H2,1H3
InChIKeyZAUQZVXNKCTSOU-UHFFFAOYSA-N
XLogP2.75
TPSA118.45 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.88
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 5-[2-(4-chlorophenyl)-2-oxoethyl]-7-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione with MolForge

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Related Compounds

N-(2,5-dimethylphenyl)-2-[7-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-6,8-dioxo-[1,3]dioxolo[4,5-g]quinazolin-5-yl]acetamide
CID 52910840
N-(2,3-dimethylphenyl)-2-[7-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6,8-dioxo-[1,3]dioxolo[4,5-g]quinazolin-5-yl]acetamide
CID 52910827
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
N-(2-ethoxyphenyl)-2-[7-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6,8-dioxo-[1,3]dioxolo[4,5-g]quinazolin-5-yl]acetamide
CID 52910820
3-(1,3-benzodioxol-5-ylmethyl)-1-[2-(4-chlorophenyl)-2-oxoethyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 27555520
8-chloro-1-[3-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propyl]-3-pentyl-7H-purine-2,6-dione
CID 59395525
N-[(2,4-dichlorophenyl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 86931665
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1,3-benzodioxole-5-carboxamide
CID 6485272
8-chloro-3-pentyl-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-7H-purine-2,6-dione
CID 59395420
N-(1,3-benzodioxol-5-ylmethyl)-6-[1-[2-(4-fluorophenyl)-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]hexanamide
CID 46246490
2-[2,4-dioxo-3-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]quinazolin-1-yl]acetamide
CID 45106636
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate
CID 24649256

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-chlorophenyl)-2-oxoethyl]-7-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione?
The IUPAC name of 5-[2-(4-chlorophenyl)-2-oxoethyl]-7-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione (CID 52910850) is 5-[2-(4-chlorophenyl)-2-oxoethyl]-7-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione.
What is the SMILES notation for 5-[2-(4-chlorophenyl)-2-oxoethyl]-7-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione?
The canonical SMILES for 5-[2-(4-chlorophenyl)-2-oxoethyl]-7-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione is Cc1noc(CCCn2c(=O)c3cc4c(cc3n(CC(=O)c3ccc(Cl)cc3)c2=O)OCO4)n1.
What is the InChIKey of 5-[2-(4-chlorophenyl)-2-oxoethyl]-7-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione?
The InChIKey is ZAUQZVXNKCTSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O6/c1-13-25-21(34-26-13)3-2-8-27-22(30)16-9-19-20(33-12-32-19)10-17(16)28(23(27)31)11-18(29)14-4-6-15(24)7-5-14/h4-7,9-10H,2-3,8,11-12H2,1H3.
What are the key properties of 5-[2-(4-chlorophenyl)-2-oxoethyl]-7-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione?
5-[2-(4-chlorophenyl)-2-oxoethyl]-7-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione has a molecular weight of 482.88 g/mol, XLogP of 2.75, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-chlorophenyl)-2-oxoethyl]-7-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione is sourced from PubChem (CID 52910850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).