3-benzyl-N-(2-methoxydibenzofuran-3-yl)-4-oxophthalazine-1-carboxamide

C29H21N3O4 — CID 3948606

IUPAC3-benzyl-N-(2-methoxydibenzofuran-3-yl)-4-oxophthalazine-1-carboxamide
SMILESCOc1cc2c(cc1NC(=O)c1nn(Cc3ccccc3)c(=O)c3ccccc13)oc1ccccc12
InChIInChI=1S/C29H21N3O4/c1-35-26-15-22-19-11-7-8-14-24(19)36-25(22)16-23(26)30-28(33)27-20-12-5-6-13-21(20)29(34)32(31-27)17-18-9-3-2-4-10-18/h2-16H,17H2,1H3,(H,30,33)
InChIKeyWJWSUOXNJLDTQN-UHFFFAOYSA-N
MW475.50 g/mol
LogP5.61
Rot. Bonds5

About 3-benzyl-N-(2-methoxydibenzofuran-3-yl)-4-oxophthalazine-1-carboxamide

3-benzyl-N-(2-methoxydibenzofuran-3-yl)-4-oxophthalazine-1-carboxamide (PubChem CID 3948606) has the molecular formula C29H21N3O4 and a molecular weight of 475.50 g/mol. Its IUPAC name is 3-benzyl-N-(2-methoxydibenzofuran-3-yl)-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound Name3-benzyl-N-(2-methoxydibenzofuran-3-yl)-4-oxophthalazine-1-carboxamide
PubChem CID3948606
Molecular FormulaC29H21N3O4
Molecular Weight475.50 g/mol
Exact Mass475.15
IUPAC Name3-benzyl-N-(2-methoxydibenzofuran-3-yl)-4-oxophthalazine-1-carboxamide
SMILESCOc1cc2c(cc1NC(=O)c1nn(Cc3ccccc3)c(=O)c3ccccc13)oc1ccccc12
InChIInChI=1S/C29H21N3O4/c1-35-26-15-22-19-11-7-8-14-24(19)36-25(22)16-23(26)30-28(33)27-20-12-5-6-13-21(20)29(34)32(31-27)17-18-9-3-2-4-10-18/h2-16H,17H2,1H3,(H,30,33)
InChIKeyWJWSUOXNJLDTQN-UHFFFAOYSA-N
XLogP5.61
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.50
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-benzyl-N-(5-tert-butyl-2-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 2088516
N-(2-methoxydibenzofuran-3-yl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 9098208
3-benzyl-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-4-oxophthalazine-1-carboxamide
CID 55948467
3-benzyl-4-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]phthalazine-1-carboxamide
CID 41261547
4-chloro-N-(2-methoxydibenzofuran-3-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 5144775
3-benzyl-4-oxo-N-(2-propoxyphenyl)phthalazine-1-carboxamide
CID 8503400
3-benzyl-4-oxo-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]phthalazine-1-carboxamide
CID 6906870
methyl 2-[(3-ethyl-4-oxophthalazine-1-carbonyl)amino]-4,5-dimethoxybenzoate
CID 7742229
3-benzyl-N-(2-bromo-4-methylphenyl)-4-oxophthalazine-1-carboxamide
CID 3450675
1-[(2-chlorophenyl)methyl]-N-(2-methoxydibenzofuran-3-yl)-3,5-dimethylpyrazole-4-carboxamide
CID 4789908
3-benzyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-4-oxophthalazine-1-carboxamide
CID 46434266
N-(2-methoxydibenzofuran-3-yl)-1-methyl-6-oxopyridine-2-carboxamide
CID 75390313

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-(2-methoxydibenzofuran-3-yl)-4-oxophthalazine-1-carboxamide?
The IUPAC name of 3-benzyl-N-(2-methoxydibenzofuran-3-yl)-4-oxophthalazine-1-carboxamide (CID 3948606) is 3-benzyl-N-(2-methoxydibenzofuran-3-yl)-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for 3-benzyl-N-(2-methoxydibenzofuran-3-yl)-4-oxophthalazine-1-carboxamide?
The canonical SMILES for 3-benzyl-N-(2-methoxydibenzofuran-3-yl)-4-oxophthalazine-1-carboxamide is COc1cc2c(cc1NC(=O)c1nn(Cc3ccccc3)c(=O)c3ccccc13)oc1ccccc12.
What is the InChIKey of 3-benzyl-N-(2-methoxydibenzofuran-3-yl)-4-oxophthalazine-1-carboxamide?
The InChIKey is WJWSUOXNJLDTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N3O4/c1-35-26-15-22-19-11-7-8-14-24(19)36-25(22)16-23(26)30-28(33)27-20-12-5-6-13-21(20)29(34)32(31-27)17-18-9-3-2-4-10-18/h2-16H,17H2,1H3,(H,30,33).
What are the key properties of 3-benzyl-N-(2-methoxydibenzofuran-3-yl)-4-oxophthalazine-1-carboxamide?
3-benzyl-N-(2-methoxydibenzofuran-3-yl)-4-oxophthalazine-1-carboxamide has a molecular weight of 475.50 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-(2-methoxydibenzofuran-3-yl)-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 3948606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).