6-methyl-2-thiophen-2-ylquinoline-4-carbohydrazide

C15H13N3OS — CID 86004329

IUPAC6-methyl-2-thiophen-2-ylquinoline-4-carbohydrazide
SMILESCc1ccc2nc(-c3cccs3)cc(C(=O)NN)c2c1
InChIInChI=1S/C15H13N3OS/c1-9-4-5-12-10(7-9)11(15(19)18-16)8-13(17-12)14-3-2-6-20-14/h2-8H,16H2,1H3,(H,18,19)
InChIKeyXARFTMHKRYGBGD-UHFFFAOYSA-N
MW283.36 g/mol
LogP2.88
Rot. Bonds2

About 6-methyl-2-thiophen-2-ylquinoline-4-carbohydrazide

6-methyl-2-thiophen-2-ylquinoline-4-carbohydrazide (PubChem CID 86004329) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 6-methyl-2-thiophen-2-ylquinoline-4-carbohydrazide.

Molecular Properties

Compound Name6-methyl-2-thiophen-2-ylquinoline-4-carbohydrazide
PubChem CID86004329
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name6-methyl-2-thiophen-2-ylquinoline-4-carbohydrazide
SMILESCc1ccc2nc(-c3cccs3)cc(C(=O)NN)c2c1
InChIInChI=1S/C15H13N3OS/c1-9-4-5-12-10(7-9)11(15(19)18-16)8-13(17-12)14-3-2-6-20-14/h2-8H,16H2,1H3,(H,18,19)
InChIKeyXARFTMHKRYGBGD-UHFFFAOYSA-N
XLogP2.88
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-6-methyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 42659167
N-hexyl-6-methyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 42749781
6-methyl-N-(2-piperidin-1-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 42659166
ethyl 2-(1,3-dithian-2-ylidene)-2-(6-methyl-2-thiophen-2-ylquinolin-4-yl)acetate
CID 16732820
6-ethyl-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 860396
2-thiophen-2-yl-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide
CID 2385229
6-chloro-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 625807
6-iodo-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 1016749
methyl 6-methoxy-2-thiophen-2-ylquinoline-4-carboxylate
CID 164676976
N-(4,6-dimethyl-2-pyridinyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 4588937
6-fluoro-N-(1-phenylethyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 42750181
N'-phenyl-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 78774952

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-thiophen-2-ylquinoline-4-carbohydrazide?
The IUPAC name of 6-methyl-2-thiophen-2-ylquinoline-4-carbohydrazide (CID 86004329) is 6-methyl-2-thiophen-2-ylquinoline-4-carbohydrazide.
What is the SMILES notation for 6-methyl-2-thiophen-2-ylquinoline-4-carbohydrazide?
The canonical SMILES for 6-methyl-2-thiophen-2-ylquinoline-4-carbohydrazide is Cc1ccc2nc(-c3cccs3)cc(C(=O)NN)c2c1.
What is the InChIKey of 6-methyl-2-thiophen-2-ylquinoline-4-carbohydrazide?
The InChIKey is XARFTMHKRYGBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-9-4-5-12-10(7-9)11(15(19)18-16)8-13(17-12)14-3-2-6-20-14/h2-8H,16H2,1H3,(H,18,19).
What are the key properties of 6-methyl-2-thiophen-2-ylquinoline-4-carbohydrazide?
6-methyl-2-thiophen-2-ylquinoline-4-carbohydrazide has a molecular weight of 283.36 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-thiophen-2-ylquinoline-4-carbohydrazide is sourced from PubChem (CID 86004329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).