N-[2-[2-[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide

C24H20N4O4 — CID 24538729

IUPACN-[2-[2-[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NNC(=O)CNC(=O)c3ccco3)c3ccccc3n2)cc1
InChIInChI=1S/C24H20N4O4/c1-15-8-10-16(11-9-15)20-13-18(17-5-2-3-6-19(17)26-20)23(30)28-27-22(29)14-25-24(31)21-7-4-12-32-21/h2-13H,14H2,1H3,(H,25,31)(H,27,29)(H,28,30)
InChIKeyCPVXNXYLCFMTNB-UHFFFAOYSA-N
MW428.45 g/mol
LogP2.99
Rot. Bonds5

About N-[2-[2-[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide

N-[2-[2-[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide (PubChem CID 24538729) has the molecular formula C24H20N4O4 and a molecular weight of 428.45 g/mol. Its IUPAC name is N-[2-[2-[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
PubChem CID24538729
Molecular FormulaC24H20N4O4
Molecular Weight428.45 g/mol
Exact Mass428.15
IUPAC NameN-[2-[2-[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NNC(=O)CNC(=O)c3ccco3)c3ccccc3n2)cc1
InChIInChI=1S/C24H20N4O4/c1-15-8-10-16(11-9-15)20-13-18(17-5-2-3-6-19(17)26-20)23(30)28-27-22(29)14-25-24(31)21-7-4-12-32-21/h2-13H,14H2,1H3,(H,25,31)(H,27,29)(H,28,30)
InChIKeyCPVXNXYLCFMTNB-UHFFFAOYSA-N
XLogP2.99
TPSA113.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]furan-3-carboxamide
CID 55647880
N-(furan-2-ylmethyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 856014
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenylquinoline-4-carboxamide
CID 9079005
2-(4-methylphenyl)-N-[2-oxo-2-(propylamino)ethyl]quinoline-4-carboxamide
CID 9163082
N-[4-[2-[2-(2-chlorophenyl)quinoline-4-carbonyl]hydrazinyl]-4-oxobutyl]furan-2-carboxamide
CID 27690460
2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]quinoline-4-carboxamide
CID 9079495
N-[2,2-dimethyl-3-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]propyl]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 2334871
N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-2-phenylquinoline-4-carboxamide
CID 17320376
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 46494617
N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-phenylquinoline-4-carboxamide
CID 26713872
2-(furan-2-yl)-N'-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]quinoline-4-carbohydrazide
CID 55495177
N-(furan-2-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 2188237

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[2-[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide (CID 24538729) is N-[2-[2-[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[2-[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[2-[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide is Cc1ccc(-c2cc(C(=O)NNC(=O)CNC(=O)c3ccco3)c3ccccc3n2)cc1.
What is the InChIKey of N-[2-[2-[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is CPVXNXYLCFMTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O4/c1-15-8-10-16(11-9-15)20-13-18(17-5-2-3-6-19(17)26-20)23(30)28-27-22(29)14-25-24(31)21-7-4-12-32-21/h2-13H,14H2,1H3,(H,25,31)(H,27,29)(H,28,30).
What are the key properties of N-[2-[2-[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
N-[2-[2-[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 428.45 g/mol, XLogP of 2.99, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 24538729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).