N'-(5-methylthiophene-2-carbonyl)-2-pyridin-3-ylquinoline-4-carbohydrazide

C21H16N4O2S — CID 27679654

IUPACN'-(5-methylthiophene-2-carbonyl)-2-pyridin-3-ylquinoline-4-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2cc(-c3cccnc3)nc3ccccc23)s1
InChIInChI=1S/C21H16N4O2S/c1-13-8-9-19(28-13)21(27)25-24-20(26)16-11-18(14-5-4-10-22-12-14)23-17-7-3-2-6-15(16)17/h2-12H,1H3,(H,24,26)(H,25,27)
InChIKeyLJWCEFLVMWYVEQ-UHFFFAOYSA-N
MW388.45 g/mol
LogP3.74
Rot. Bonds3

About N'-(5-methylthiophene-2-carbonyl)-2-pyridin-3-ylquinoline-4-carbohydrazide

N'-(5-methylthiophene-2-carbonyl)-2-pyridin-3-ylquinoline-4-carbohydrazide (PubChem CID 27679654) has the molecular formula C21H16N4O2S and a molecular weight of 388.45 g/mol. Its IUPAC name is N'-(5-methylthiophene-2-carbonyl)-2-pyridin-3-ylquinoline-4-carbohydrazide.

Molecular Properties

Compound NameN'-(5-methylthiophene-2-carbonyl)-2-pyridin-3-ylquinoline-4-carbohydrazide
PubChem CID27679654
Molecular FormulaC21H16N4O2S
Molecular Weight388.45 g/mol
Exact Mass388.10
IUPAC NameN'-(5-methylthiophene-2-carbonyl)-2-pyridin-3-ylquinoline-4-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2cc(-c3cccnc3)nc3ccccc23)s1
InChIInChI=1S/C21H16N4O2S/c1-13-8-9-19(28-13)21(27)25-24-20(26)16-11-18(14-5-4-10-22-12-14)23-17-7-3-2-6-15(16)17/h2-12H,1H3,(H,24,26)(H,25,27)
InChIKeyLJWCEFLVMWYVEQ-UHFFFAOYSA-N
XLogP3.74
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-(5-methylthiophene-2-carbonyl)-2-pyridin-3-ylquinoline-4-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 53007972
N'-(3-phenyl-1H-pyrazole-5-carbonyl)-2-pyridin-3-ylquinoline-4-carbohydrazide
CID 27689112
N-(4-hydroxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 39311131
1-(2-methoxyethyl)-3-[(2-pyridin-3-ylquinoline-4-carbonyl)amino]thiourea
CID 24819782
N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 155910501
N-(2-hydroxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 39889991
N'-[3-(2-hydroxyphenyl)propanoyl]-2-pyridin-3-ylquinoline-4-carbohydrazide
CID 17496046
2-phenyl-N'-(thiophene-2-carbonyl)quinoline-4-carbohydrazide
CID 7600821
N-[2-(4-methylphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 4107904
N-naphthalen-1-yl-2-pyridin-3-ylquinoline-4-carboxamide
CID 25180097
2-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 24538422
2-pyridin-3-yl-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
CID 29369713

Frequently Asked Questions

What is the IUPAC name of N'-(5-methylthiophene-2-carbonyl)-2-pyridin-3-ylquinoline-4-carbohydrazide?
The IUPAC name of N'-(5-methylthiophene-2-carbonyl)-2-pyridin-3-ylquinoline-4-carbohydrazide (CID 27679654) is N'-(5-methylthiophene-2-carbonyl)-2-pyridin-3-ylquinoline-4-carbohydrazide.
What is the SMILES notation for N'-(5-methylthiophene-2-carbonyl)-2-pyridin-3-ylquinoline-4-carbohydrazide?
The canonical SMILES for N'-(5-methylthiophene-2-carbonyl)-2-pyridin-3-ylquinoline-4-carbohydrazide is Cc1ccc(C(=O)NNC(=O)c2cc(-c3cccnc3)nc3ccccc23)s1.
What is the InChIKey of N'-(5-methylthiophene-2-carbonyl)-2-pyridin-3-ylquinoline-4-carbohydrazide?
The InChIKey is LJWCEFLVMWYVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2S/c1-13-8-9-19(28-13)21(27)25-24-20(26)16-11-18(14-5-4-10-22-12-14)23-17-7-3-2-6-15(16)17/h2-12H,1H3,(H,24,26)(H,25,27).
What are the key properties of N'-(5-methylthiophene-2-carbonyl)-2-pyridin-3-ylquinoline-4-carbohydrazide?
N'-(5-methylthiophene-2-carbonyl)-2-pyridin-3-ylquinoline-4-carbohydrazide has a molecular weight of 388.45 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-methylthiophene-2-carbonyl)-2-pyridin-3-ylquinoline-4-carbohydrazide is sourced from PubChem (CID 27679654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).