N'-phenyl-2-thiophen-2-ylquinoline-4-carbohydrazide

C20H15N3OS — CID 78774952

IUPACN'-phenyl-2-thiophen-2-ylquinoline-4-carbohydrazide
SMILESO=C(NNc1ccccc1)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C20H15N3OS/c24-20(23-22-14-7-2-1-3-8-14)16-13-18(19-11-6-12-25-19)21-17-10-5-4-9-15(16)17/h1-13,22H,(H,23,24)
InChIKeyVKWQAULOBRBVRV-UHFFFAOYSA-N
MW345.43 g/mol
LogP4.72
Rot. Bonds4

About N'-phenyl-2-thiophen-2-ylquinoline-4-carbohydrazide

N'-phenyl-2-thiophen-2-ylquinoline-4-carbohydrazide (PubChem CID 78774952) has the molecular formula C20H15N3OS and a molecular weight of 345.43 g/mol. Its IUPAC name is N'-phenyl-2-thiophen-2-ylquinoline-4-carbohydrazide.

Molecular Properties

Compound NameN'-phenyl-2-thiophen-2-ylquinoline-4-carbohydrazide
PubChem CID78774952
Molecular FormulaC20H15N3OS
Molecular Weight345.43 g/mol
Exact Mass345.09
IUPAC NameN'-phenyl-2-thiophen-2-ylquinoline-4-carbohydrazide
SMILESO=C(NNc1ccccc1)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C20H15N3OS/c24-20(23-22-14-7-2-1-3-8-14)16-13-18(19-11-6-12-25-19)21-17-10-5-4-9-15(16)17/h1-13,22H,(H,23,24)
InChIKeyVKWQAULOBRBVRV-UHFFFAOYSA-N
XLogP4.72
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(cyclohepten-1-yl)-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 2327036
N-naphthalen-2-yl-2-thiophen-2-ylquinoline-4-carboxamide
CID 2316962
N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 24598219
N'-(4-methyl-1,3-benzothiazol-2-yl)-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 15944884
N'-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 15944885
2-thiophen-2-yl-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide
CID 2385229
N-[(2R)-3,3-dimethylbutan-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 1261855
N-[4-[[(2-thiophen-2-ylquinoline-4-carbonyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide
CID 43070381
N-(4,6-dimethyl-2-pyridinyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 4588937
N-(4-sulfamoylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 3368053
N'-[2-(4-methoxyphenyl)acetyl]-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 31835498
N-(2-methylsulfanylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 1261690

Frequently Asked Questions

What is the IUPAC name of N'-phenyl-2-thiophen-2-ylquinoline-4-carbohydrazide?
The IUPAC name of N'-phenyl-2-thiophen-2-ylquinoline-4-carbohydrazide (CID 78774952) is N'-phenyl-2-thiophen-2-ylquinoline-4-carbohydrazide.
What is the SMILES notation for N'-phenyl-2-thiophen-2-ylquinoline-4-carbohydrazide?
The canonical SMILES for N'-phenyl-2-thiophen-2-ylquinoline-4-carbohydrazide is O=C(NNc1ccccc1)c1cc(-c2cccs2)nc2ccccc12.
What is the InChIKey of N'-phenyl-2-thiophen-2-ylquinoline-4-carbohydrazide?
The InChIKey is VKWQAULOBRBVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3OS/c24-20(23-22-14-7-2-1-3-8-14)16-13-18(19-11-6-12-25-19)21-17-10-5-4-9-15(16)17/h1-13,22H,(H,23,24).
What are the key properties of N'-phenyl-2-thiophen-2-ylquinoline-4-carbohydrazide?
N'-phenyl-2-thiophen-2-ylquinoline-4-carbohydrazide has a molecular weight of 345.43 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-phenyl-2-thiophen-2-ylquinoline-4-carbohydrazide is sourced from PubChem (CID 78774952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).