N-benzyl-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]quinoline-4-carboxamide

C22H18N4OS — CID 24776658

IUPACN-benzyl-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]quinoline-4-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(N/N=C/c2cccs2)nc2ccccc12
InChIInChI=1S/C22H18N4OS/c27-22(23-14-16-7-2-1-3-8-16)19-13-21(25-20-11-5-4-10-18(19)20)26-24-15-17-9-6-12-28-17/h1-13,15H,14H2,(H,23,27)(H,25,26)/b24-15+
InChIKeyJGOBCSBPZCVDEX-BUVRLJJBSA-N
MW386.48 g/mol
LogP4.67
Rot. Bonds6

About N-benzyl-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]quinoline-4-carboxamide

N-benzyl-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]quinoline-4-carboxamide (PubChem CID 24776658) has the molecular formula C22H18N4OS and a molecular weight of 386.48 g/mol. Its IUPAC name is N-benzyl-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]quinoline-4-carboxamide
PubChem CID24776658
Molecular FormulaC22H18N4OS
Molecular Weight386.48 g/mol
Exact Mass386.12
IUPAC NameN-benzyl-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]quinoline-4-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(N/N=C/c2cccs2)nc2ccccc12
InChIInChI=1S/C22H18N4OS/c27-22(23-14-16-7-2-1-3-8-16)19-13-21(25-20-11-5-4-10-18(19)20)26-24-15-17-9-6-12-28-17/h1-13,15H,14H2,(H,23,27)(H,25,26)/b24-15+
InChIKeyJGOBCSBPZCVDEX-BUVRLJJBSA-N
XLogP4.67
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 N-benzyl-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]quinoline-4-carboxamide?
The IUPAC name of N-benzyl-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]quinoline-4-carboxamide (CID 24776658) is N-benzyl-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]quinoline-4-carboxamide.
What is the SMILES notation for N-benzyl-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]quinoline-4-carboxamide?
The canonical SMILES for N-benzyl-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]quinoline-4-carboxamide is O=C(NCc1ccccc1)c1cc(N/N=C/c2cccs2)nc2ccccc12.
What is the InChIKey of N-benzyl-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]quinoline-4-carboxamide?
The InChIKey is JGOBCSBPZCVDEX-BUVRLJJBSA-N. The full InChI is InChI=1S/C22H18N4OS/c27-22(23-14-16-7-2-1-3-8-16)19-13-21(25-20-11-5-4-10-18(19)20)26-24-15-17-9-6-12-28-17/h1-13,15H,14H2,(H,23,27)(H,25,26)/b24-15+.
What are the key properties of N-benzyl-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]quinoline-4-carboxamide?
N-benzyl-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]quinoline-4-carboxamide has a molecular weight of 386.48 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]quinoline-4-carboxamide is sourced from PubChem (CID 24776658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).