2-(furan-2-yl)-N'-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]quinoline-4-carbohydrazide

C25H20N6O3 — CID 55913517

IUPAC2-(furan-2-yl)-N'-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]quinoline-4-carbohydrazide
SMILESCc1cccc(-n2nnc(C(=O)NNC(=O)c3cc(-c4ccco4)nc4ccccc34)c2C)c1
InChIInChI=1S/C25H20N6O3/c1-15-7-5-8-17(13-15)31-16(2)23(27-30-31)25(33)29-28-24(32)19-14-21(22-11-6-12-34-22)26-20-10-4-3-9-18(19)20/h3-14H,1-2H3,(H,28,32)(H,29,33)
InChIKeyCCDAOSWPEXZXED-UHFFFAOYSA-N
MW452.47 g/mol
LogP3.77
Rot. Bonds4

About 2-(furan-2-yl)-N'-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]quinoline-4-carbohydrazide

2-(furan-2-yl)-N'-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]quinoline-4-carbohydrazide (PubChem CID 55913517) has the molecular formula C25H20N6O3 and a molecular weight of 452.47 g/mol. Its IUPAC name is 2-(furan-2-yl)-N'-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]quinoline-4-carbohydrazide.

Molecular Properties

Compound Name2-(furan-2-yl)-N'-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]quinoline-4-carbohydrazide
PubChem CID55913517
Molecular FormulaC25H20N6O3
Molecular Weight452.47 g/mol
Exact Mass452.16
IUPAC Name2-(furan-2-yl)-N'-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]quinoline-4-carbohydrazide
SMILESCc1cccc(-n2nnc(C(=O)NNC(=O)c3cc(-c4ccco4)nc4ccccc34)c2C)c1
InChIInChI=1S/C25H20N6O3/c1-15-7-5-8-17(13-15)31-16(2)23(27-30-31)25(33)29-28-24(32)19-14-21(22-11-6-12-34-22)26-20-10-4-3-9-18(19)20/h3-14H,1-2H3,(H,28,32)(H,29,33)
InChIKeyCCDAOSWPEXZXED-UHFFFAOYSA-N
XLogP3.77
TPSA114.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.47
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-(furan-2-yl)-N'-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]quinoline-4-carbohydrazide with MolForge

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Related Compounds

N'-[2-(furan-2-yl)quinoline-4-carbonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 43011099
N-tert-butyl-2-(furan-2-yl)quinoline-4-carboxamide
CID 3611196
N-(2,4-dimethylphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 694750
N'-(1-benzofuran-2-carbonyl)-2-(furan-2-yl)quinoline-4-carbohydrazide
CID 2469170
N-[4-[2-[2-[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]phenyl]acetamide
CID 134029227
ethyl 2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]benzoate
CID 1222332
2-(furan-2-yl)-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]quinoline-4-carbohydrazide
CID 134051137
2-(furan-2-yl)-N'-(2-oxo-6-phenyl-1H-pyridine-3-carbonyl)quinoline-4-carbohydrazide
CID 55789537
2-(furan-2-yl)-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide
CID 903434
2-(furan-2-yl)-N'-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]quinoline-4-carbohydrazide
CID 55495177
2-(furan-2-yl)-N-[(E)-(2-methylphenyl)methylideneamino]quinoline-4-carboxamide
CID 6906616
2-(furan-2-yl)-N-[(2-methylphenyl)methylideneamino]quinoline-4-carboxamide
CID 2490689

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N'-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]quinoline-4-carbohydrazide?
The IUPAC name of 2-(furan-2-yl)-N'-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]quinoline-4-carbohydrazide (CID 55913517) is 2-(furan-2-yl)-N'-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]quinoline-4-carbohydrazide.
What is the SMILES notation for 2-(furan-2-yl)-N'-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]quinoline-4-carbohydrazide?
The canonical SMILES for 2-(furan-2-yl)-N'-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]quinoline-4-carbohydrazide is Cc1cccc(-n2nnc(C(=O)NNC(=O)c3cc(-c4ccco4)nc4ccccc34)c2C)c1.
What is the InChIKey of 2-(furan-2-yl)-N'-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]quinoline-4-carbohydrazide?
The InChIKey is CCDAOSWPEXZXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O3/c1-15-7-5-8-17(13-15)31-16(2)23(27-30-31)25(33)29-28-24(32)19-14-21(22-11-6-12-34-22)26-20-10-4-3-9-18(19)20/h3-14H,1-2H3,(H,28,32)(H,29,33).
What are the key properties of 2-(furan-2-yl)-N'-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]quinoline-4-carbohydrazide?
2-(furan-2-yl)-N'-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]quinoline-4-carbohydrazide has a molecular weight of 452.47 g/mol, XLogP of 3.77, 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'-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]quinoline-4-carbohydrazide is sourced from PubChem (CID 55913517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).