N-(2,5-dimethoxyphenyl)-2-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl]acetamide

C22H27N5O6 — CID 156593212

IUPACN-(2,5-dimethoxyphenyl)-2-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN2C(=O)N(Cc3nc(C)no3)C(=O)C3CCCCC32)c1
InChIInChI=1S/C22H27N5O6/c1-13-23-20(33-25-13)12-27-21(29)15-6-4-5-7-17(15)26(22(27)30)11-19(28)24-16-10-14(31-2)8-9-18(16)32-3/h8-10,15,17H,4-7,11-12H2,1-3H3,(H,24,28)
InChIKeyWIWQZQHWCAOWPR-UHFFFAOYSA-N
MW457.49 g/mol
LogP2.36
Rot. Bonds7

About N-(2,5-dimethoxyphenyl)-2-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl]acetamide

N-(2,5-dimethoxyphenyl)-2-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl]acetamide (PubChem CID 156593212) has the molecular formula C22H27N5O6 and a molecular weight of 457.49 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl]acetamide
PubChem CID156593212
Molecular FormulaC22H27N5O6
Molecular Weight457.49 g/mol
Exact Mass457.20
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN2C(=O)N(Cc3nc(C)no3)C(=O)C3CCCCC32)c1
InChIInChI=1S/C22H27N5O6/c1-13-23-20(33-25-13)12-27-21(29)15-6-4-5-7-17(15)26(22(27)30)11-19(28)24-16-10-14(31-2)8-9-18(16)32-3/h8-10,15,17H,4-7,11-12H2,1-3H3,(H,24,28)
InChIKeyWIWQZQHWCAOWPR-UHFFFAOYSA-N
XLogP2.36
TPSA127.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(2,5-dimethoxyphenyl)-2-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl]acetamide with MolForge

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Related Compounds

2-(3-benzyl-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl)-N-(3-methoxyphenyl)acetamide
CID 156589849
N-(2,5-dimethoxyphenyl)-2-[(1S,2S,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]acetamide
CID 6600773
N-(2,5-dimethoxyphenyl)-2-[(1S,2R,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]acetamide
CID 98232752
N-(2,5-dimethoxyphenyl)-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)acetamide
CID 2924640
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 11930996
3-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 2684932
methyl 2-[[2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetyl]amino]-5-methoxybenzoate
CID 98472876
N-(2,5-dimethoxyphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901780
[2-(2,5-dimethoxyanilino)-2-oxoethyl] (2S)-2-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate
CID 7572524
N-(2,5-dimethoxyphenyl)-2-(4,5-dimethyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide
CID 91904000
N-(5-chloro-2-methoxyphenyl)-3-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]propanamide
CID 72905186
N-(2,5-dimethoxyphenyl)-2-[[5-methyl-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3212476

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl]acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl]acetamide (CID 156593212) is N-(2,5-dimethoxyphenyl)-2-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl]acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl]acetamide is COc1ccc(OC)c(NC(=O)CN2C(=O)N(Cc3nc(C)no3)C(=O)C3CCCCC32)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl]acetamide?
The InChIKey is WIWQZQHWCAOWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O6/c1-13-23-20(33-25-13)12-27-21(29)15-6-4-5-7-17(15)26(22(27)30)11-19(28)24-16-10-14(31-2)8-9-18(16)32-3/h8-10,15,17H,4-7,11-12H2,1-3H3,(H,24,28).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl]acetamide?
N-(2,5-dimethoxyphenyl)-2-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl]acetamide has a molecular weight of 457.49 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl]acetamide is sourced from PubChem (CID 156593212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).