N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide

C21H19N5O3 — CID 4889371

IUPACN-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCc1nn(CC(=O)Nc2ccc3c(c2)nc2n3CCOC2)c(=O)c2ccccc12
InChIInChI=1S/C21H19N5O3/c1-13-15-4-2-3-5-16(15)21(28)26(24-13)11-20(27)22-14-6-7-18-17(10-14)23-19-12-29-9-8-25(18)19/h2-7,10H,8-9,11-12H2,1H3,(H,22,27)
InChIKeyOQBOSSBZSWPXNR-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.22
Rot. Bonds3

About N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide

N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (PubChem CID 4889371) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
PubChem CID4889371
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC NameN-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCc1nn(CC(=O)Nc2ccc3c(c2)nc2n3CCOC2)c(=O)c2ccccc12
InChIInChI=1S/C21H19N5O3/c1-13-15-4-2-3-5-16(15)21(28)26(24-13)11-20(27)22-14-6-7-18-17(10-14)23-19-12-29-9-8-25(18)19/h2-7,10H,8-9,11-12H2,1H3,(H,22,27)
InChIKeyOQBOSSBZSWPXNR-UHFFFAOYSA-N
XLogP2.22
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)-3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanamide
CID 4893629
ethyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)carbamate
CID 4897177
2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-methylphenyl)acetamide
CID 17129197
N-(4-acetylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 857342
2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 29445007
2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 51208453
2-chloro-N,N-dimethyl-5-[[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]benzamide
CID 55674390
2-(4-methyl-1-oxophthalazin-2-yl)-N-naphthalen-1-ylacetamide
CID 46518026
2-(4-methyl-1-oxophthalazin-2-yl)-N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]acetamide
CID 3348679
2-(4-methyl-1-oxophthalazin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 51208445
2-(4-methyl-1-oxophthalazin-2-yl)-N-(2-methylphenyl)acetamide
CID 745849
ethyl 5-[[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]-1-benzothiophene-2-carboxylate
CID 55624959

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (CID 4889371) is N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is Cc1nn(CC(=O)Nc2ccc3c(c2)nc2n3CCOC2)c(=O)c2ccccc12.
What is the InChIKey of N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The InChIKey is OQBOSSBZSWPXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-13-15-4-2-3-5-16(15)21(28)26(24-13)11-20(27)22-14-6-7-18-17(10-14)23-19-12-29-9-8-25(18)19/h2-7,10H,8-9,11-12H2,1H3,(H,22,27).
What are the key properties of N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide has a molecular weight of 389.42 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 4889371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).