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

C23H21N5O7 — CID 52910820

IUPACN-(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
SMILESCCOc1ccccc1NC(=O)Cn1c(=O)n(Cc2nc(C)no2)c(=O)c2cc3c(cc21)OCO3
InChIInChI=1S/C23H21N5O7/c1-3-32-17-7-5-4-6-15(17)25-20(29)10-27-16-9-19-18(33-12-34-19)8-14(16)22(30)28(23(27)31)11-21-24-13(2)26-35-21/h4-9H,3,10-12H2,1-2H3,(H,25,29)
InChIKeyNPWGKAJXCDTKNM-UHFFFAOYSA-N
MW479.45 g/mol
LogP1.67
Rot. Bonds7

About 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

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 (PubChem CID 52910820) has the molecular formula C23H21N5O7 and a molecular weight of 479.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID52910820
Molecular FormulaC23H21N5O7
Molecular Weight479.45 g/mol
Exact Mass479.14
IUPAC NameN-(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
SMILESCCOc1ccccc1NC(=O)Cn1c(=O)n(Cc2nc(C)no2)c(=O)c2cc3c(cc21)OCO3
InChIInChI=1S/C23H21N5O7/c1-3-32-17-7-5-4-6-15(17)25-20(29)10-27-16-9-19-18(33-12-34-19)8-14(16)22(30)28(23(27)31)11-21-24-13(2)26-35-21/h4-9H,3,10-12H2,1-2H3,(H,25,29)
InChIKeyNPWGKAJXCDTKNM-UHFFFAOYSA-N
XLogP1.67
TPSA139.71 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.45
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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-ethoxyphenyl)-2-[8-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-oxopyrimido[5,4-b]indol-5-yl]acetamide
CID 50830493
N-(2,3-dimethylphenyl)-2-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 16956541
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-(3-fluorophenyl)-2-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 46278489
N-(2-ethoxyphenyl)-2-[4-oxo-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrimido[5,4-b]indol-5-yl]acetamide
CID 50830602
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
2-[7,8-dimethoxy-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-oxopyrimido[5,4-b]indol-5-yl]-N-(2-methylphenyl)acetamide
CID 50831795
ethyl 2-[[2-[3-(1,3-benzodioxol-5-ylmethyl)-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetyl]amino]benzoate
CID 41233548
2-(3-benzyl-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 27655945
2-(1,3-benzodioxol-5-yl)-N-(2-ethoxyphenyl)acetamide
CID 87044794

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOc1ccccc1NC(=O)Cn1c(=O)n(Cc2nc(C)no2)c(=O)c2cc3c(cc21)OCO3.
What is the InChIKey of 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?
The InChIKey is NPWGKAJXCDTKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O7/c1-3-32-17-7-5-4-6-15(17)25-20(29)10-27-16-9-19-18(33-12-34-19)8-14(16)22(30)28(23(27)31)11-21-24-13(2)26-35-21/h4-9H,3,10-12H2,1-2H3,(H,25,29).
What are the key properties of 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?
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 has a molecular weight of 479.45 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 52910820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).