N-(2,3-dimethylphenyl)-2-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide

C22H21N5O4 — CID 16956541

IUPACN-(2,3-dimethylphenyl)-2-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
SMILESCc1noc(Cn2c(=O)c3ccccc3n(CC(=O)Nc3cccc(C)c3C)c2=O)n1
InChIInChI=1S/C22H21N5O4/c1-13-7-6-9-17(14(13)2)24-19(28)11-26-18-10-5-4-8-16(18)21(29)27(22(26)30)12-20-23-15(3)25-31-20/h4-10H,11-12H2,1-3H3,(H,24,28)
InChIKeyRIZZOTXPIMDKKR-UHFFFAOYSA-N
MW419.44 g/mol
LogP2.16
Rot. Bonds5

About N-(2,3-dimethylphenyl)-2-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide

N-(2,3-dimethylphenyl)-2-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide (PubChem CID 16956541) has the molecular formula C22H21N5O4 and a molecular weight of 419.44 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
PubChem CID16956541
Molecular FormulaC22H21N5O4
Molecular Weight419.44 g/mol
Exact Mass419.16
IUPAC NameN-(2,3-dimethylphenyl)-2-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
SMILESCc1noc(Cn2c(=O)c3ccccc3n(CC(=O)Nc3cccc(C)c3C)c2=O)n1
InChIInChI=1S/C22H21N5O4/c1-13-7-6-9-17(14(13)2)24-19(28)11-26-18-10-5-4-8-16(18)21(29)27(22(26)30)12-20-23-15(3)25-31-20/h4-10H,11-12H2,1-3H3,(H,24,28)
InChIKeyRIZZOTXPIMDKKR-UHFFFAOYSA-N
XLogP2.16
TPSA112.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3-fluorophenyl)-2-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 46278489
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-(2,3-dimethylphenyl)-2-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4-oxopyrimido[5,4-b]indol-5-yl]acetamide
CID 50830579
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
2-[3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dioxoquinazolin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 46278499
N-(3-chloro-2-methylphenyl)-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 46860994
2-[3-[(3-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 46925353
2-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-oxopyrimido[5,4-b]indol-5-yl]-N-phenylacetamide
CID 50830409
N-(4-bromophenyl)-2-[3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 46278498
N-(2,3-dimethylphenyl)-2-(3-formyl-2-methylindol-1-yl)acetamide
CID 965806
2-(2,4-dioxo-3-phenylquinazolin-1-yl)-N-(2-methylphenyl)acetamide
CID 17147914
2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(2-methylphenyl)acetamide
CID 51046709

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide (CID 16956541) is N-(2,3-dimethylphenyl)-2-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide is Cc1noc(Cn2c(=O)c3ccccc3n(CC(=O)Nc3cccc(C)c3C)c2=O)n1.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide?
The InChIKey is RIZZOTXPIMDKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O4/c1-13-7-6-9-17(14(13)2)24-19(28)11-26-18-10-5-4-8-16(18)21(29)27(22(26)30)12-20-23-15(3)25-31-20/h4-10H,11-12H2,1-3H3,(H,24,28).
What are the key properties of N-(2,3-dimethylphenyl)-2-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide?
N-(2,3-dimethylphenyl)-2-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide has a molecular weight of 419.44 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide is sourced from PubChem (CID 16956541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).