N'-(1-benzofuran-2-carbonyl)-3-methyl-4-oxophthalazine-1-carbohydrazide

C19H14N4O4 — CID 2674870

IUPACN'-(1-benzofuran-2-carbonyl)-3-methyl-4-oxophthalazine-1-carbohydrazide
SMILESCn1nc(C(=O)NNC(=O)c2cc3ccccc3o2)c2ccccc2c1=O
InChIInChI=1S/C19H14N4O4/c1-23-19(26)13-8-4-3-7-12(13)16(22-23)18(25)21-20-17(24)15-10-11-6-2-5-9-14(11)27-15/h2-10H,1H3,(H,20,24)(H,21,25)
InChIKeyBOWCNUJYHZTMHJ-UHFFFAOYSA-N
MW362.35 g/mol
LogP1.75
Rot. Bonds2

About N'-(1-benzofuran-2-carbonyl)-3-methyl-4-oxophthalazine-1-carbohydrazide

N'-(1-benzofuran-2-carbonyl)-3-methyl-4-oxophthalazine-1-carbohydrazide (PubChem CID 2674870) has the molecular formula C19H14N4O4 and a molecular weight of 362.35 g/mol. Its IUPAC name is N'-(1-benzofuran-2-carbonyl)-3-methyl-4-oxophthalazine-1-carbohydrazide.

Molecular Properties

Compound NameN'-(1-benzofuran-2-carbonyl)-3-methyl-4-oxophthalazine-1-carbohydrazide
PubChem CID2674870
Molecular FormulaC19H14N4O4
Molecular Weight362.35 g/mol
Exact Mass362.10
IUPAC NameN'-(1-benzofuran-2-carbonyl)-3-methyl-4-oxophthalazine-1-carbohydrazide
SMILESCn1nc(C(=O)NNC(=O)c2cc3ccccc3o2)c2ccccc2c1=O
InChIInChI=1S/C19H14N4O4/c1-23-19(26)13-8-4-3-7-12(13)16(22-23)18(25)21-20-17(24)15-10-11-6-2-5-9-14(11)27-15/h2-10H,1H3,(H,20,24)(H,21,25)
InChIKeyBOWCNUJYHZTMHJ-UHFFFAOYSA-N
XLogP1.75
TPSA106.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(1-benzofuran-2-carbonyl)-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 8839224
N'-(1-benzofuran-2-carbonyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 8838626
3-methyl-4-oxo-N'-(2-phenylacetyl)phthalazine-1-carbohydrazide
CID 7750621
N-[(Z)-1-benzo[e][1]benzofuran-2-ylethylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide
CID 9463234
3-methyl-N'-(2-naphthalen-2-yloxypropanoyl)-4-oxophthalazine-1-carbohydrazide
CID 4805664
3-methyl-N'-[(2S)-2-naphthalen-2-yloxypropanoyl]-4-oxophthalazine-1-carbohydrazide
CID 7927312
N'-(5-bromo-3-methyl-1-benzofuran-2-carbonyl)-3-methyl-4-oxophthalazine-1-carbohydrazide
CID 3891002
N'-(1-benzofuran-2-carbonyl)-1-methylindole-3-carbohydrazide
CID 40717335
3-benzyl-4-oxo-N'-(2-oxochromene-3-carbonyl)phthalazine-1-carbohydrazide
CID 4995460
3-methyl-N'-[(E)-3-naphthalen-1-ylprop-2-enoyl]-4-oxophthalazine-1-carbohydrazide
CID 24616172
N-(3,5-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2710143
3-methyl-N'-(4-methylsulfonylbenzoyl)-4-oxophthalazine-1-carbohydrazide
CID 26873192

Frequently Asked Questions

What is the IUPAC name of N'-(1-benzofuran-2-carbonyl)-3-methyl-4-oxophthalazine-1-carbohydrazide?
The IUPAC name of N'-(1-benzofuran-2-carbonyl)-3-methyl-4-oxophthalazine-1-carbohydrazide (CID 2674870) is N'-(1-benzofuran-2-carbonyl)-3-methyl-4-oxophthalazine-1-carbohydrazide.
What is the SMILES notation for N'-(1-benzofuran-2-carbonyl)-3-methyl-4-oxophthalazine-1-carbohydrazide?
The canonical SMILES for N'-(1-benzofuran-2-carbonyl)-3-methyl-4-oxophthalazine-1-carbohydrazide is Cn1nc(C(=O)NNC(=O)c2cc3ccccc3o2)c2ccccc2c1=O.
What is the InChIKey of N'-(1-benzofuran-2-carbonyl)-3-methyl-4-oxophthalazine-1-carbohydrazide?
The InChIKey is BOWCNUJYHZTMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O4/c1-23-19(26)13-8-4-3-7-12(13)16(22-23)18(25)21-20-17(24)15-10-11-6-2-5-9-14(11)27-15/h2-10H,1H3,(H,20,24)(H,21,25).
What are the key properties of N'-(1-benzofuran-2-carbonyl)-3-methyl-4-oxophthalazine-1-carbohydrazide?
N'-(1-benzofuran-2-carbonyl)-3-methyl-4-oxophthalazine-1-carbohydrazide has a molecular weight of 362.35 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-benzofuran-2-carbonyl)-3-methyl-4-oxophthalazine-1-carbohydrazide is sourced from PubChem (CID 2674870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).