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

C28H25N5O3 — CID 4893629

IUPACN-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)-3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanamide
SMILESCc1ccc(-c2nn(CCC(=O)Nc3ccc4c(c3)nc3n4CCOC3)c(=O)c3ccccc23)cc1
InChIInChI=1S/C28H25N5O3/c1-18-6-8-19(9-7-18)27-21-4-2-3-5-22(21)28(35)33(31-27)13-12-26(34)29-20-10-11-24-23(16-20)30-25-17-36-15-14-32(24)25/h2-11,16H,12-15,17H2,1H3,(H,29,34)
InChIKeyDGVWCJUCAFLIST-UHFFFAOYSA-N
MW479.54 g/mol
LogP4.28
Rot. Bonds5

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

N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)-3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanamide (PubChem CID 4893629) has the molecular formula C28H25N5O3 and a molecular weight of 479.54 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)-3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanamide.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)-3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanamide
PubChem CID4893629
Molecular FormulaC28H25N5O3
Molecular Weight479.54 g/mol
Exact Mass479.20
IUPAC NameN-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)-3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanamide
SMILESCc1ccc(-c2nn(CCC(=O)Nc3ccc4c(c3)nc3n4CCOC3)c(=O)c3ccccc23)cc1
InChIInChI=1S/C28H25N5O3/c1-18-6-8-19(9-7-18)27-21-4-2-3-5-22(21)28(35)33(31-27)13-12-26(34)29-20-10-11-24-23(16-20)30-25-17-36-15-14-32(24)25/h2-11,16H,12-15,17H2,1H3,(H,29,34)
InChIKeyDGVWCJUCAFLIST-UHFFFAOYSA-N
XLogP4.28
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)-3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanamide 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-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 4889371
ethyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)carbamate
CID 4897177
3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]-N-propylpropanamide
CID 2024185
N-(3,4-dichlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
CID 1417632
N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
CID 5008520
2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-N-(4-methylphenyl)acetamide
CID 23854431
N-naphthalen-1-yl-3-(1-oxo-4-phenylphthalazin-2-yl)propanamide
CID 1085033
N-[5-(4-chlorophenyl)benzimidazolo[2,1-a]phthalazin-10-yl]-2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]acetamide
CID 3911125
N-(3-chlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
CID 1385157
3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N-naphthalen-1-ylpropanamide
CID 3846453
ethyl 3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanoate
CID 895376
2-(4-methyl-1-oxophthalazin-2-yl)-N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]acetamide
CID 3348679

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)-3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanamide?
The IUPAC name of 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) is N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)-3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanamide.
What is the SMILES notation for N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)-3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanamide?
The canonical SMILES for N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)-3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanamide is Cc1ccc(-c2nn(CCC(=O)Nc3ccc4c(c3)nc3n4CCOC3)c(=O)c3ccccc23)cc1.
What is the InChIKey of N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)-3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanamide?
The InChIKey is DGVWCJUCAFLIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O3/c1-18-6-8-19(9-7-18)27-21-4-2-3-5-22(21)28(35)33(31-27)13-12-26(34)29-20-10-11-24-23(16-20)30-25-17-36-15-14-32(24)25/h2-11,16H,12-15,17H2,1H3,(H,29,34).
What are the key properties of N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)-3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanamide?
N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)-3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanamide has a molecular weight of 479.54 g/mol, XLogP of 4.28, 5 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)-3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanamide is sourced from PubChem (CID 4893629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).