N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide

C19H17N3O5 — CID 3432115

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide
SMILESCn1c(=O)n(CC(=O)Nc2ccc3c(c2)OCCO3)c(=O)c2ccccc21
InChIInChI=1S/C19H17N3O5/c1-21-14-5-3-2-4-13(14)18(24)22(19(21)25)11-17(23)20-12-6-7-15-16(10-12)27-9-8-26-15/h2-7,10H,8-9,11H2,1H3,(H,20,23)
InChIKeyNKNVGBGIFMJVQT-UHFFFAOYSA-N
MW367.36 g/mol
LogP1.11
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide (PubChem CID 3432115) has the molecular formula C19H17N3O5 and a molecular weight of 367.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide
PubChem CID3432115
Molecular FormulaC19H17N3O5
Molecular Weight367.36 g/mol
Exact Mass367.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide
SMILESCn1c(=O)n(CC(=O)Nc2ccc3c(c2)OCCO3)c(=O)c2ccccc21
InChIInChI=1S/C19H17N3O5/c1-21-14-5-3-2-4-13(14)18(24)22(19(21)25)11-17(23)20-12-6-7-15-16(10-12)27-9-8-26-15/h2-7,10H,8-9,11H2,1H3,(H,20,23)
InChIKeyNKNVGBGIFMJVQT-UHFFFAOYSA-N
XLogP1.11
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-2,4-dioxoquinazolin-3-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-dihydro-1,4-benzodioxin-6-yl)-2-[3-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 45030627
N-(3,4-dimethoxyphenyl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide
CID 4084799
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(9-oxoacridin-10-yl)butanamide
CID 15998549
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 644429
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(10-methyl-3,4-dioxo-[1,2,4]triazino[4,3-a]benzimidazol-2-yl)acetamide
CID 1435098
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]acetamide
CID 51369732
2-(1-methyl-2,4-dioxoquinazolin-3-yl)-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide
CID 46969733
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-oxo-3-propan-2-ylimidazo[4,5-b]pyridin-1-yl)acetamide
CID 95807337
2-[4-[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide
CID 50763301
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
CID 5309970
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108806354
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5Z)-5-[(1,2-dimethylindol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126213060

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide (CID 3432115) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide is Cn1c(=O)n(CC(=O)Nc2ccc3c(c2)OCCO3)c(=O)c2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide?
The InChIKey is NKNVGBGIFMJVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5/c1-21-14-5-3-2-4-13(14)18(24)22(19(21)25)11-17(23)20-12-6-7-15-16(10-12)27-9-8-26-15/h2-7,10H,8-9,11H2,1H3,(H,20,23).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide has a molecular weight of 367.36 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 3432115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).