4-hydrazinyl-N-(thiolan-3-ylmethyl)quinoline-2-carboxamide

C15H18N4OS — CID 107298266

IUPAC4-hydrazinyl-N-(thiolan-3-ylmethyl)quinoline-2-carboxamide
SMILESNNc1cc(C(=O)NCC2CCSC2)nc2ccccc12
InChIInChI=1S/C15H18N4OS/c16-19-13-7-14(18-12-4-2-1-3-11(12)13)15(20)17-8-10-5-6-21-9-10/h1-4,7,10H,5-6,8-9,16H2,(H,17,20)(H,18,19)
InChIKeyBJJPYEQKWFZZKJ-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.00
Rot. Bonds4

About 4-hydrazinyl-N-(thiolan-3-ylmethyl)quinoline-2-carboxamide

4-hydrazinyl-N-(thiolan-3-ylmethyl)quinoline-2-carboxamide (PubChem CID 107298266) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 4-hydrazinyl-N-(thiolan-3-ylmethyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name4-hydrazinyl-N-(thiolan-3-ylmethyl)quinoline-2-carboxamide
PubChem CID107298266
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name4-hydrazinyl-N-(thiolan-3-ylmethyl)quinoline-2-carboxamide
SMILESNNc1cc(C(=O)NCC2CCSC2)nc2ccccc12
InChIInChI=1S/C15H18N4OS/c16-19-13-7-14(18-12-4-2-1-3-11(12)13)15(20)17-8-10-5-6-21-9-10/h1-4,7,10H,5-6,8-9,16H2,(H,17,20)(H,18,19)
InChIKeyBJJPYEQKWFZZKJ-UHFFFAOYSA-N
XLogP2.00
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.00
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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Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-(thiolan-3-ylmethyl)quinoline-2-carboxamide?
The IUPAC name of 4-hydrazinyl-N-(thiolan-3-ylmethyl)quinoline-2-carboxamide (CID 107298266) is 4-hydrazinyl-N-(thiolan-3-ylmethyl)quinoline-2-carboxamide.
What is the SMILES notation for 4-hydrazinyl-N-(thiolan-3-ylmethyl)quinoline-2-carboxamide?
The canonical SMILES for 4-hydrazinyl-N-(thiolan-3-ylmethyl)quinoline-2-carboxamide is NNc1cc(C(=O)NCC2CCSC2)nc2ccccc12.
What is the InChIKey of 4-hydrazinyl-N-(thiolan-3-ylmethyl)quinoline-2-carboxamide?
The InChIKey is BJJPYEQKWFZZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c16-19-13-7-14(18-12-4-2-1-3-11(12)13)15(20)17-8-10-5-6-21-9-10/h1-4,7,10H,5-6,8-9,16H2,(H,17,20)(H,18,19).
What are the key properties of 4-hydrazinyl-N-(thiolan-3-ylmethyl)quinoline-2-carboxamide?
4-hydrazinyl-N-(thiolan-3-ylmethyl)quinoline-2-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 2.00, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-(thiolan-3-ylmethyl)quinoline-2-carboxamide is sourced from PubChem (CID 107298266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).