2-pyridin-2-yl-N'-(2-thiophen-2-ylacetyl)quinoline-4-carbohydrazide

C21H16N4O2S — CID 40599644

IUPAC2-pyridin-2-yl-N'-(2-thiophen-2-ylacetyl)quinoline-4-carbohydrazide
SMILESO=C(Cc1cccs1)NNC(=O)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C21H16N4O2S/c26-20(12-14-6-5-11-28-14)24-25-21(27)16-13-19(18-9-3-4-10-22-18)23-17-8-2-1-7-15(16)17/h1-11,13H,12H2,(H,24,26)(H,25,27)
InChIKeyFRCOSVBQZKYCGU-UHFFFAOYSA-N
MW388.45 g/mol
LogP3.36
Rot. Bonds4

About 2-pyridin-2-yl-N'-(2-thiophen-2-ylacetyl)quinoline-4-carbohydrazide

2-pyridin-2-yl-N'-(2-thiophen-2-ylacetyl)quinoline-4-carbohydrazide (PubChem CID 40599644) has the molecular formula C21H16N4O2S and a molecular weight of 388.45 g/mol. Its IUPAC name is 2-pyridin-2-yl-N'-(2-thiophen-2-ylacetyl)quinoline-4-carbohydrazide.

Molecular Properties

Compound Name2-pyridin-2-yl-N'-(2-thiophen-2-ylacetyl)quinoline-4-carbohydrazide
PubChem CID40599644
Molecular FormulaC21H16N4O2S
Molecular Weight388.45 g/mol
Exact Mass388.10
IUPAC Name2-pyridin-2-yl-N'-(2-thiophen-2-ylacetyl)quinoline-4-carbohydrazide
SMILESO=C(Cc1cccs1)NNC(=O)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C21H16N4O2S/c26-20(12-14-6-5-11-28-14)24-25-21(27)16-13-19(18-9-3-4-10-22-18)23-17-8-2-1-7-15(16)17/h1-11,13H,12H2,(H,24,26)(H,25,27)
InChIKeyFRCOSVBQZKYCGU-UHFFFAOYSA-N
XLogP3.36
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 53.36
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-naphthalen-1-ylacetyl)-2-pyridin-2-ylquinoline-4-carbohydrazide
CID 42386438
N'-(4-methylpentanoyl)-2-pyridin-2-ylquinoline-4-carbohydrazide
CID 26775333
N-[3-oxo-3-[2-(2-pyridin-2-ylquinoline-4-carbonyl)hydrazinyl]propyl]benzamide
CID 4801871
N-[4-oxo-4-[2-(2-pyridin-2-ylquinoline-4-carbonyl)hydrazinyl]butyl]thiophene-3-carboxamide
CID 30454501
N-ethyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 17473754
N'-[2-(4-methoxyphenyl)acetyl]-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 31835498
N'-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-pyridin-2-ylquinoline-4-carbohydrazide
CID 55685382
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 5136979
N'-(5,6-dichloropyridine-3-carbonyl)-2-pyridin-2-ylquinoline-4-carbohydrazide
CID 4963799
N-[(2-chlorophenyl)methyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 3611934
2-phenyl-N'-(thiophene-2-carbonyl)quinoline-4-carbohydrazide
CID 7600821
N-cyclopropyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 757672

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-N'-(2-thiophen-2-ylacetyl)quinoline-4-carbohydrazide?
The IUPAC name of 2-pyridin-2-yl-N'-(2-thiophen-2-ylacetyl)quinoline-4-carbohydrazide (CID 40599644) is 2-pyridin-2-yl-N'-(2-thiophen-2-ylacetyl)quinoline-4-carbohydrazide.
What is the SMILES notation for 2-pyridin-2-yl-N'-(2-thiophen-2-ylacetyl)quinoline-4-carbohydrazide?
The canonical SMILES for 2-pyridin-2-yl-N'-(2-thiophen-2-ylacetyl)quinoline-4-carbohydrazide is O=C(Cc1cccs1)NNC(=O)c1cc(-c2ccccn2)nc2ccccc12.
What is the InChIKey of 2-pyridin-2-yl-N'-(2-thiophen-2-ylacetyl)quinoline-4-carbohydrazide?
The InChIKey is FRCOSVBQZKYCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2S/c26-20(12-14-6-5-11-28-14)24-25-21(27)16-13-19(18-9-3-4-10-22-18)23-17-8-2-1-7-15(16)17/h1-11,13H,12H2,(H,24,26)(H,25,27).
What are the key properties of 2-pyridin-2-yl-N'-(2-thiophen-2-ylacetyl)quinoline-4-carbohydrazide?
2-pyridin-2-yl-N'-(2-thiophen-2-ylacetyl)quinoline-4-carbohydrazide has a molecular weight of 388.45 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-N'-(2-thiophen-2-ylacetyl)quinoline-4-carbohydrazide is sourced from PubChem (CID 40599644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).