1-hydrazinyl-N-(thiophen-3-ylmethyl)isoquinoline-4-carboxamide

C15H14N4OS — CID 106774052

IUPAC1-hydrazinyl-N-(thiophen-3-ylmethyl)isoquinoline-4-carboxamide
SMILESNNc1ncc(C(=O)NCc2ccsc2)c2ccccc12
InChIInChI=1S/C15H14N4OS/c16-19-14-12-4-2-1-3-11(12)13(8-17-14)15(20)18-7-10-5-6-21-9-10/h1-6,8-9H,7,16H2,(H,17,19)(H,18,20)
InChIKeySFHYPBNMRLBVNK-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.51
Rot. Bonds4

About 1-hydrazinyl-N-(thiophen-3-ylmethyl)isoquinoline-4-carboxamide

1-hydrazinyl-N-(thiophen-3-ylmethyl)isoquinoline-4-carboxamide (PubChem CID 106774052) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 1-hydrazinyl-N-(thiophen-3-ylmethyl)isoquinoline-4-carboxamide.

Molecular Properties

Compound Name1-hydrazinyl-N-(thiophen-3-ylmethyl)isoquinoline-4-carboxamide
PubChem CID106774052
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name1-hydrazinyl-N-(thiophen-3-ylmethyl)isoquinoline-4-carboxamide
SMILESNNc1ncc(C(=O)NCc2ccsc2)c2ccccc12
InChIInChI=1S/C15H14N4OS/c16-19-14-12-4-2-1-3-11(12)13(8-17-14)15(20)18-7-10-5-6-21-9-10/h1-6,8-9H,7,16H2,(H,17,19)(H,18,20)
InChIKeySFHYPBNMRLBVNK-UHFFFAOYSA-N
XLogP2.51
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-hydrazinylisoquinoline-4-carbohydrazide
CID 165346130
1-hydrazinyl-N-(1H-pyrazol-4-ylmethyl)isoquinoline-4-carboxamide
CID 106773855
4-hydrazinyl-6-methyl-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 81256330
1-chloro-N-(2-thiophen-3-ylethyl)isoquinoline-4-carboxamide
CID 106766100
N-[3-(dimethylamino)propyl]-1-hydrazinylisoquinoline-4-carboxamide
CID 106773595
1-hydrazinyl-N-(2-propan-2-yloxyethyl)isoquinoline-4-carboxamide
CID 106774378
1-(2-thiophen-3-ylethylamino)isoquinoline-4-carboxylic acid
CID 106766757
2-fluoro-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 107358701
6-hydrazinyl-N-(thiophen-3-ylmethyl)pyridine-2-carboxamide
CID 63248051
2-(ethylamino)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 63247950
2-[2-(aminomethyl)phenyl]-N-(thiophen-3-ylmethyl)acetamide
CID 81322396
3-amino-N-(thiophen-3-ylmethyl)pyridine-2-carboxamide
CID 104742298

Frequently Asked Questions

What is the IUPAC name of 1-hydrazinyl-N-(thiophen-3-ylmethyl)isoquinoline-4-carboxamide?
The IUPAC name of 1-hydrazinyl-N-(thiophen-3-ylmethyl)isoquinoline-4-carboxamide (CID 106774052) is 1-hydrazinyl-N-(thiophen-3-ylmethyl)isoquinoline-4-carboxamide.
What is the SMILES notation for 1-hydrazinyl-N-(thiophen-3-ylmethyl)isoquinoline-4-carboxamide?
The canonical SMILES for 1-hydrazinyl-N-(thiophen-3-ylmethyl)isoquinoline-4-carboxamide is NNc1ncc(C(=O)NCc2ccsc2)c2ccccc12.
What is the InChIKey of 1-hydrazinyl-N-(thiophen-3-ylmethyl)isoquinoline-4-carboxamide?
The InChIKey is SFHYPBNMRLBVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c16-19-14-12-4-2-1-3-11(12)13(8-17-14)15(20)18-7-10-5-6-21-9-10/h1-6,8-9H,7,16H2,(H,17,19)(H,18,20).
What are the key properties of 1-hydrazinyl-N-(thiophen-3-ylmethyl)isoquinoline-4-carboxamide?
1-hydrazinyl-N-(thiophen-3-ylmethyl)isoquinoline-4-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 2.51, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydrazinyl-N-(thiophen-3-ylmethyl)isoquinoline-4-carboxamide is sourced from PubChem (CID 106774052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).