N'-(2-benzo[e][1]benzofuran-1-ylacetyl)quinoline-2-carbohydrazide

C24H17N3O3 — CID 29266482

IUPACN'-(2-benzo[e][1]benzofuran-1-ylacetyl)quinoline-2-carbohydrazide
SMILESO=C(Cc1coc2ccc3ccccc3c12)NNC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C24H17N3O3/c28-22(26-27-24(29)20-11-9-16-6-2-4-8-19(16)25-20)13-17-14-30-21-12-10-15-5-1-3-7-18(15)23(17)21/h1-12,14H,13H2,(H,26,28)(H,27,29)
InChIKeyWOJFYZGAACPLFN-UHFFFAOYSA-N
MW395.42 g/mol
LogP4.14
Rot. Bonds3

About N'-(2-benzo[e][1]benzofuran-1-ylacetyl)quinoline-2-carbohydrazide

N'-(2-benzo[e][1]benzofuran-1-ylacetyl)quinoline-2-carbohydrazide (PubChem CID 29266482) has the molecular formula C24H17N3O3 and a molecular weight of 395.42 g/mol. Its IUPAC name is N'-(2-benzo[e][1]benzofuran-1-ylacetyl)quinoline-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2-benzo[e][1]benzofuran-1-ylacetyl)quinoline-2-carbohydrazide
PubChem CID29266482
Molecular FormulaC24H17N3O3
Molecular Weight395.42 g/mol
Exact Mass395.13
IUPAC NameN'-(2-benzo[e][1]benzofuran-1-ylacetyl)quinoline-2-carbohydrazide
SMILESO=C(Cc1coc2ccc3ccccc3c12)NNC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C24H17N3O3/c28-22(26-27-24(29)20-11-9-16-6-2-4-8-19(16)25-20)13-17-14-30-21-12-10-15-5-1-3-7-18(15)23(17)21/h1-12,14H,13H2,(H,26,28)(H,27,29)
InChIKeyWOJFYZGAACPLFN-UHFFFAOYSA-N
XLogP4.14
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-benzo[e][1]benzofuran-1-ylacetyl)-2-methylbenzohydrazide
CID 4728287
N'-[2-(1,2-benzoxazol-3-yl)acetyl]quinoline-2-carbohydrazide
CID 35069552
2-benzo[e][1]benzofuran-1-yl-N-(1,3-benzothiazol-2-ylmethyl)acetamide
CID 18110573
N'-[2-(2-chlorophenyl)acetyl]quinoline-2-carbohydrazide
CID 29266373
N'-butanoylquinoline-2-carbohydrazide
CID 29266790
N'-(2-benzo[e][1]benzofuran-1-ylacetyl)-4-(tetrazol-1-yl)benzohydrazide
CID 30878164
2-benzo[e][1]benzofuran-1-yl-N-(2-chlorophenyl)acetamide
CID 829773
2-benzo[e][1]benzofuran-1-yl-N'-[2-(2-oxo-1-pyridinyl)acetyl]acetohydrazide
CID 9077912
2-benzo[e][1]benzofuran-1-yl-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 9480740
N'-[2-(1-adamantyl)acetyl]-2-benzo[e][1]benzofuran-1-ylacetohydrazide
CID 5132781
2-benzo[e][1]benzofuran-1-yl-N-piperidin-1-ylacetamide
CID 9271571
3-[[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 24638380

Frequently Asked Questions

What is the IUPAC name of N'-(2-benzo[e][1]benzofuran-1-ylacetyl)quinoline-2-carbohydrazide?
The IUPAC name of N'-(2-benzo[e][1]benzofuran-1-ylacetyl)quinoline-2-carbohydrazide (CID 29266482) is N'-(2-benzo[e][1]benzofuran-1-ylacetyl)quinoline-2-carbohydrazide.
What is the SMILES notation for N'-(2-benzo[e][1]benzofuran-1-ylacetyl)quinoline-2-carbohydrazide?
The canonical SMILES for N'-(2-benzo[e][1]benzofuran-1-ylacetyl)quinoline-2-carbohydrazide is O=C(Cc1coc2ccc3ccccc3c12)NNC(=O)c1ccc2ccccc2n1.
What is the InChIKey of N'-(2-benzo[e][1]benzofuran-1-ylacetyl)quinoline-2-carbohydrazide?
The InChIKey is WOJFYZGAACPLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O3/c28-22(26-27-24(29)20-11-9-16-6-2-4-8-19(16)25-20)13-17-14-30-21-12-10-15-5-1-3-7-18(15)23(17)21/h1-12,14H,13H2,(H,26,28)(H,27,29).
What are the key properties of N'-(2-benzo[e][1]benzofuran-1-ylacetyl)quinoline-2-carbohydrazide?
N'-(2-benzo[e][1]benzofuran-1-ylacetyl)quinoline-2-carbohydrazide has a molecular weight of 395.42 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-benzo[e][1]benzofuran-1-ylacetyl)quinoline-2-carbohydrazide is sourced from PubChem (CID 29266482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).