N'-[2-(4-methoxyphenyl)acetyl]-2-thiophen-2-ylquinoline-4-carbohydrazide

C23H19N3O3S — CID 31835498

IUPACN'-[2-(4-methoxyphenyl)acetyl]-2-thiophen-2-ylquinoline-4-carbohydrazide
SMILESCOc1ccc(CC(=O)NNC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1
InChIInChI=1S/C23H19N3O3S/c1-29-16-10-8-15(9-11-16)13-22(27)25-26-23(28)18-14-20(21-7-4-12-30-21)24-19-6-3-2-5-17(18)19/h2-12,14H,13H2,1H3,(H,25,27)(H,26,28)
InChIKeyQMYVCMNBPALSGR-UHFFFAOYSA-N
MW417.49 g/mol
LogP3.98
Rot. Bonds5

About N'-[2-(4-methoxyphenyl)acetyl]-2-thiophen-2-ylquinoline-4-carbohydrazide

N'-[2-(4-methoxyphenyl)acetyl]-2-thiophen-2-ylquinoline-4-carbohydrazide (PubChem CID 31835498) has the molecular formula C23H19N3O3S and a molecular weight of 417.49 g/mol. Its IUPAC name is N'-[2-(4-methoxyphenyl)acetyl]-2-thiophen-2-ylquinoline-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-methoxyphenyl)acetyl]-2-thiophen-2-ylquinoline-4-carbohydrazide
PubChem CID31835498
Molecular FormulaC23H19N3O3S
Molecular Weight417.49 g/mol
Exact Mass417.11
IUPAC NameN'-[2-(4-methoxyphenyl)acetyl]-2-thiophen-2-ylquinoline-4-carbohydrazide
SMILESCOc1ccc(CC(=O)NNC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1
InChIInChI=1S/C23H19N3O3S/c1-29-16-10-8-15(9-11-16)13-22(27)25-26-23(28)18-14-20(21-7-4-12-30-21)24-19-6-3-2-5-17(18)19/h2-12,14H,13H2,1H3,(H,25,27)(H,26,28)
InChIKeyQMYVCMNBPALSGR-UHFFFAOYSA-N
XLogP3.98
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 53.98
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

N'-[2-(4-fluorophenyl)acetyl]-2-(4-methoxyphenyl)quinoline-4-carbohydrazide
CID 26657004
N-[(2,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 15988959
N-(2,4-dimethoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 998090
N'-phenyl-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 78774952
N,4-dimethyl-N-[2-oxo-2-[2-(2-thiophen-2-ylquinoline-4-carbonyl)hydrazinyl]ethyl]benzenesulfonamide
CID 27681392
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 146025289
methyl 6-methoxy-2-thiophen-2-ylquinoline-4-carboxylate
CID 164676976
N-[4-[[(2-thiophen-2-ylquinoline-4-carbonyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide
CID 43070381
methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]benzoate
CID 1261711
[2-(3-methoxypropylamino)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 8661698
N-[5-(2,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 60613288
N-(4-phenylbutan-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 3576119

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methoxyphenyl)acetyl]-2-thiophen-2-ylquinoline-4-carbohydrazide?
The IUPAC name of N'-[2-(4-methoxyphenyl)acetyl]-2-thiophen-2-ylquinoline-4-carbohydrazide (CID 31835498) is N'-[2-(4-methoxyphenyl)acetyl]-2-thiophen-2-ylquinoline-4-carbohydrazide.
What is the SMILES notation for N'-[2-(4-methoxyphenyl)acetyl]-2-thiophen-2-ylquinoline-4-carbohydrazide?
The canonical SMILES for N'-[2-(4-methoxyphenyl)acetyl]-2-thiophen-2-ylquinoline-4-carbohydrazide is COc1ccc(CC(=O)NNC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1.
What is the InChIKey of N'-[2-(4-methoxyphenyl)acetyl]-2-thiophen-2-ylquinoline-4-carbohydrazide?
The InChIKey is QMYVCMNBPALSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3S/c1-29-16-10-8-15(9-11-16)13-22(27)25-26-23(28)18-14-20(21-7-4-12-30-21)24-19-6-3-2-5-17(18)19/h2-12,14H,13H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N'-[2-(4-methoxyphenyl)acetyl]-2-thiophen-2-ylquinoline-4-carbohydrazide?
N'-[2-(4-methoxyphenyl)acetyl]-2-thiophen-2-ylquinoline-4-carbohydrazide has a molecular weight of 417.49 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methoxyphenyl)acetyl]-2-thiophen-2-ylquinoline-4-carbohydrazide is sourced from PubChem (CID 31835498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).