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

C25H25N5O6 — CID 52910840

IUPACN-(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
SMILESCc1ccc(C)c(NC(=O)Cn2c(=O)n(CCCc3nc(C)no3)c(=O)c3cc4c(cc32)OCO4)c1
InChIInChI=1S/C25H25N5O6/c1-14-6-7-15(2)18(9-14)27-22(31)12-30-19-11-21-20(34-13-35-21)10-17(19)24(32)29(25(30)33)8-4-5-23-26-16(3)28-36-23/h6-7,9-11H,4-5,8,12-13H2,1-3H3,(H,27,31)
InChIKeyKGCCZFVGHVHDSL-UHFFFAOYSA-N
MW491.50 g/mol
LogP2.47
Rot. Bonds7

About 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

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 (PubChem CID 52910840) has the molecular formula C25H25N5O6 and a molecular weight of 491.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID52910840
Molecular FormulaC25H25N5O6
Molecular Weight491.50 g/mol
Exact Mass491.18
IUPAC NameN-(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
SMILESCc1ccc(C)c(NC(=O)Cn2c(=O)n(CCCc3nc(C)no3)c(=O)c3cc4c(cc32)OCO4)c1
InChIInChI=1S/C25H25N5O6/c1-14-6-7-15(2)18(9-14)27-22(31)12-30-19-11-21-20(34-13-35-21)10-17(19)24(32)29(25(30)33)8-4-5-23-26-16(3)28-36-23/h6-7,9-11H,4-5,8,12-13H2,1-3H3,(H,27,31)
InChIKeyKGCCZFVGHVHDSL-UHFFFAOYSA-N
XLogP2.47
TPSA130.48 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.50
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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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
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
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
5-[1-[2-(2,5-dimethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(3-methylbutyl)pentanamide
CID 50763049
N-(2,3-dimethylphenyl)-2-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 16956541
N-(2,5-dimethoxyphenyl)-2-[3-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 20918619
N-(2,5-dimethylphenyl)-2-[2-(trifluoromethyl)-7,8-dihydro-6H-[1,4]dioxepino[2,3-f]benzimidazol-3-yl]acetamide
CID 18525483
2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 45030658
N-(3-fluorophenyl)-2-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 46278489
N-(5-chloro-2-methylphenyl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetamide
CID 106417038
N-(2-fluoro-4-methylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 47180517
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(C)c(NC(=O)Cn2c(=O)n(CCCc3nc(C)no3)c(=O)c3cc4c(cc32)OCO4)c1.
What is the InChIKey of 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?
The InChIKey is KGCCZFVGHVHDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O6/c1-14-6-7-15(2)18(9-14)27-22(31)12-30-19-11-21-20(34-13-35-21)10-17(19)24(32)29(25(30)33)8-4-5-23-26-16(3)28-36-23/h6-7,9-11H,4-5,8,12-13H2,1-3H3,(H,27,31).
What are the key properties of 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?
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 has a molecular weight of 491.50 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 52910840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).