2-(furan-2-yl)-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]quinoline-4-carbohydrazide

C24H19N5O4 — CID 134051137

IUPAC2-(furan-2-yl)-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]quinoline-4-carbohydrazide
SMILESCn1c(=O)n(CC(=O)NNC(=O)c2cc(-c3ccco3)nc3ccccc23)c2ccccc21
InChIInChI=1S/C24H19N5O4/c1-28-19-9-4-5-10-20(19)29(24(28)32)14-22(30)26-27-23(31)16-13-18(21-11-6-12-33-21)25-17-8-3-2-7-15(16)17/h2-13H,14H2,1H3,(H,26,30)(H,27,31)
InChIKeyYGRXBKOVJHJVQX-UHFFFAOYSA-N
MW441.45 g/mol
LogP2.61
Rot. Bonds4

About 2-(furan-2-yl)-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]quinoline-4-carbohydrazide

2-(furan-2-yl)-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]quinoline-4-carbohydrazide (PubChem CID 134051137) has the molecular formula C24H19N5O4 and a molecular weight of 441.45 g/mol. Its IUPAC name is 2-(furan-2-yl)-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]quinoline-4-carbohydrazide.

Molecular Properties

Compound Name2-(furan-2-yl)-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]quinoline-4-carbohydrazide
PubChem CID134051137
Molecular FormulaC24H19N5O4
Molecular Weight441.45 g/mol
Exact Mass441.14
IUPAC Name2-(furan-2-yl)-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]quinoline-4-carbohydrazide
SMILESCn1c(=O)n(CC(=O)NNC(=O)c2cc(-c3ccco3)nc3ccccc23)c2ccccc21
InChIInChI=1S/C24H19N5O4/c1-28-19-9-4-5-10-20(19)29(24(28)32)14-22(30)26-27-23(31)16-13-18(21-11-6-12-33-21)25-17-8-3-2-7-15(16)17/h2-13H,14H2,1H3,(H,26,30)(H,27,31)
InChIKeyYGRXBKOVJHJVQX-UHFFFAOYSA-N
XLogP2.61
TPSA111.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.45
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-[2-[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]phenyl]acetamide
CID 134029227
1-methyl-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]indole-3-carbohydrazide
CID 24607822
N'-[2-(furan-2-yl)quinoline-4-carbonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 43011099
N'-[2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-2-(furan-2-yl)quinoline-4-carbohydrazide
CID 6598868
N-tert-butyl-2-(furan-2-yl)quinoline-4-carboxamide
CID 3611196
2-(furan-2-yl)-N'-(2-oxo-6-phenyl-1H-pyridine-3-carbonyl)quinoline-4-carbohydrazide
CID 55789537
N'-(1-benzofuran-2-carbonyl)-2-(furan-2-yl)quinoline-4-carbohydrazide
CID 2469170
2-(furan-2-yl)-N'-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]quinoline-4-carbohydrazide
CID 55495177
N-butan-2-yl-2-(furan-2-yl)quinoline-4-carboxamide
CID 3637493
2-(furan-2-yl)-N-(2-hydroxypropyl)quinoline-4-carboxamide
CID 78800391
N-[2-(tert-butylamino)-2-oxoethyl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 26456849
2-(furan-2-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]quinoline-4-carboxamide
CID 78813275

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]quinoline-4-carbohydrazide?
The IUPAC name of 2-(furan-2-yl)-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]quinoline-4-carbohydrazide (CID 134051137) is 2-(furan-2-yl)-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]quinoline-4-carbohydrazide.
What is the SMILES notation for 2-(furan-2-yl)-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]quinoline-4-carbohydrazide?
The canonical SMILES for 2-(furan-2-yl)-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]quinoline-4-carbohydrazide is Cn1c(=O)n(CC(=O)NNC(=O)c2cc(-c3ccco3)nc3ccccc23)c2ccccc21.
What is the InChIKey of 2-(furan-2-yl)-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]quinoline-4-carbohydrazide?
The InChIKey is YGRXBKOVJHJVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O4/c1-28-19-9-4-5-10-20(19)29(24(28)32)14-22(30)26-27-23(31)16-13-18(21-11-6-12-33-21)25-17-8-3-2-7-15(16)17/h2-13H,14H2,1H3,(H,26,30)(H,27,31).
What are the key properties of 2-(furan-2-yl)-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]quinoline-4-carbohydrazide?
2-(furan-2-yl)-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]quinoline-4-carbohydrazide has a molecular weight of 441.45 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]quinoline-4-carbohydrazide is sourced from PubChem (CID 134051137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).