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

C25H22N4O3S — CID 35699410

IUPACN-methyl-N-[2-[2-[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NNC(=O)CN(C)C(=O)c3cccs3)c3ccccc3n2)cc1
InChIInChI=1S/C25H22N4O3S/c1-16-9-11-17(12-10-16)21-14-19(18-6-3-4-7-20(18)26-21)24(31)28-27-23(30)15-29(2)25(32)22-8-5-13-33-22/h3-14H,15H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyISMSMACRUQNBJE-UHFFFAOYSA-N
MW458.54 g/mol
LogP3.80
Rot. Bonds5

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

N-methyl-N-[2-[2-[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 35699410) has the molecular formula C25H22N4O3S and a molecular weight of 458.54 g/mol. Its IUPAC name is N-methyl-N-[2-[2-[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-[2-[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID35699410
Molecular FormulaC25H22N4O3S
Molecular Weight458.54 g/mol
Exact Mass458.14
IUPAC NameN-methyl-N-[2-[2-[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NNC(=O)CN(C)C(=O)c3cccs3)c3ccccc3n2)cc1
InChIInChI=1S/C25H22N4O3S/c1-16-9-11-17(12-10-16)21-14-19(18-6-3-4-7-20(18)26-21)24(31)28-27-23(30)15-29(2)25(32)22-8-5-13-33-22/h3-14H,15H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyISMSMACRUQNBJE-UHFFFAOYSA-N
XLogP3.80
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-N'-(thiophene-2-carbonyl)quinoline-4-carbohydrazide
CID 7600821
N,4-dimethyl-N-[2-oxo-2-[2-(2-thiophen-2-ylquinoline-4-carbonyl)hydrazinyl]ethyl]benzenesulfonamide
CID 27681392
N-[2,2-dimethyl-3-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]propyl]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 2334871
N-[2-[2-[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 24538729
N-[2-[2-[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]furan-3-carboxamide
CID 55647880
N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
CID 27827840
N'-[2-(2-methylphenoxy)acetyl]-2-phenylquinoline-4-carbohydrazide
CID 2309994
N'-[2-(4-methoxyphenyl)acetyl]-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 31835498
2-(4-tert-butylphenyl)-N-[(Z)-1-thiophen-2-ylpropylideneamino]quinoline-4-carboxamide
CID 6162815
2-[methyl-[2-(4-methylphenyl)quinoline-4-carbothioyl]amino]acetic acid
CID 14180706
2-(4-methylphenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 1220288
2-(4-methylphenyl)-N-[2-oxo-2-(propylamino)ethyl]quinoline-4-carboxamide
CID 9163082

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[2-[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-methyl-N-[2-[2-[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide (CID 35699410) is N-methyl-N-[2-[2-[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-methyl-N-[2-[2-[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-methyl-N-[2-[2-[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide is Cc1ccc(-c2cc(C(=O)NNC(=O)CN(C)C(=O)c3cccs3)c3ccccc3n2)cc1.
What is the InChIKey of N-methyl-N-[2-[2-[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is ISMSMACRUQNBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3S/c1-16-9-11-17(12-10-16)21-14-19(18-6-3-4-7-20(18)26-21)24(31)28-27-23(30)15-29(2)25(32)22-8-5-13-33-22/h3-14H,15H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of N-methyl-N-[2-[2-[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
N-methyl-N-[2-[2-[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 458.54 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[2-[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 35699410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).