N-[2-[2-[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]furan-3-carboxamide

C24H20N4O4 — CID 55647880

IUPACN-[2-[2-[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]furan-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NNC(=O)CNC(=O)c3ccoc3)c3ccccc3n2)cc1
InChIInChI=1S/C24H20N4O4/c1-15-6-8-16(9-7-15)21-12-19(18-4-2-3-5-20(18)26-21)24(31)28-27-22(29)13-25-23(30)17-10-11-32-14-17/h2-12,14H,13H2,1H3,(H,25,30)(H,27,29)(H,28,31)
InChIKeyJIKLQXAIPZHKCH-UHFFFAOYSA-N
MW428.45 g/mol
LogP2.99
Rot. Bonds5

About N-[2-[2-[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]furan-3-carboxamide

N-[2-[2-[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]furan-3-carboxamide (PubChem CID 55647880) 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-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]furan-3-carboxamide
PubChem CID55647880
Molecular FormulaC24H20N4O4
Molecular Weight428.45 g/mol
Exact Mass428.15
IUPAC NameN-[2-[2-[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]furan-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NNC(=O)CNC(=O)c3ccoc3)c3ccccc3n2)cc1
InChIInChI=1S/C24H20N4O4/c1-15-6-8-16(9-7-15)21-12-19(18-4-2-3-5-20(18)26-21)24(31)28-27-22(29)13-25-23(30)17-10-11-32-14-17/h2-12,14H,13H2,1H3,(H,25,30)(H,27,29)(H,28,31)
InChIKeyJIKLQXAIPZHKCH-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-2-carboxamide
CID 24538729
2-(2-chlorophenyl)-N'-(furan-3-carbonyl)quinoline-4-carbohydrazide
CID 27020677
2-(4-methylphenyl)-N-[2-oxo-2-(propylamino)ethyl]quinoline-4-carboxamide
CID 9163082
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 46494617
N-[2,2-dimethyl-3-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]propyl]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 2334871
N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-phenylquinoline-4-carboxamide
CID 26713872
N-methyl-N-[2-[2-[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 35699410
N-(furan-2-ylmethyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 856014
N'-[2-(2-methylphenoxy)acetyl]-2-phenylquinoline-4-carbohydrazide
CID 2309994
2-(4-methylphenyl)-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]quinoline-4-carbohydrazide
CID 55333625
N-[2-(ethylamino)-2-oxoethyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 9224382
N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-2-phenylquinoline-4-carboxamide
CID 17320376

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]furan-3-carboxamide?
The IUPAC name of N-[2-[2-[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]furan-3-carboxamide (CID 55647880) is N-[2-[2-[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]furan-3-carboxamide.
What is the SMILES notation for N-[2-[2-[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]furan-3-carboxamide?
The canonical SMILES for N-[2-[2-[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]furan-3-carboxamide is Cc1ccc(-c2cc(C(=O)NNC(=O)CNC(=O)c3ccoc3)c3ccccc3n2)cc1.
What is the InChIKey of N-[2-[2-[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]furan-3-carboxamide?
The InChIKey is JIKLQXAIPZHKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O4/c1-15-6-8-16(9-7-15)21-12-19(18-4-2-3-5-20(18)26-21)24(31)28-27-22(29)13-25-23(30)17-10-11-32-14-17/h2-12,14H,13H2,1H3,(H,25,30)(H,27,29)(H,28,31).
What are the key properties of N-[2-[2-[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]furan-3-carboxamide?
N-[2-[2-[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]furan-3-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-3-carboxamide is sourced from PubChem (CID 55647880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).