N'-[2-(3,6,8-trimethylquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide

C19H19N3O3S — CID 1176167

IUPACN'-[2-(3,6,8-trimethylquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide
SMILESCc1cc(C)c2nc(SCC(=O)NNC(=O)c3ccco3)c(C)cc2c1
InChIInChI=1S/C19H19N3O3S/c1-11-7-12(2)17-14(8-11)9-13(3)19(20-17)26-10-16(23)21-22-18(24)15-5-4-6-25-15/h4-9H,10H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyOXVMJLFZXOKKHR-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.31
Rot. Bonds4

About N'-[2-(3,6,8-trimethylquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide

N'-[2-(3,6,8-trimethylquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide (PubChem CID 1176167) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N'-[2-(3,6,8-trimethylquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(3,6,8-trimethylquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide
PubChem CID1176167
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN'-[2-(3,6,8-trimethylquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide
SMILESCc1cc(C)c2nc(SCC(=O)NNC(=O)c3ccco3)c(C)cc2c1
InChIInChI=1S/C19H19N3O3S/c1-11-7-12(2)17-14(8-11)9-13(3)19(20-17)26-10-16(23)21-22-18(24)15-5-4-6-25-15/h4-9H,10H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyOXVMJLFZXOKKHR-UHFFFAOYSA-N
XLogP3.31
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[2-(3,6,8-trimethylquinolin-2-yl)sulfanylacetyl]furan-2-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

2-(4,6-dimethylquinolin-2-yl)sulfanyl-N-[(E)-furan-2-ylmethylideneamino]acetamide
CID 9563307
Furan-2-carboxylic acid N'-[2-(3-ethyl-7-methyl-quinolin-2-ylsulfanyl)-acetyl]-hydrazide
CID 1440447
2-(3-Ethyl-8-methyl-quinolin-2-ylsulfanyl)-1-[4-(furan-2-carbonyl)-piperazin-1-yl]-ethanone
CID 647243
2-(3-Ethyl-quinolin-2-ylsulfanyl)-1-[4-(furan-2-carbonyl)-piperazin-1-yl]-ethanone
CID 647971
2-(3-Ethyl-6,8-dimethyl-quinolin-2-ylsulfanyl)-1-[4-(furan-2-carbonyl)-piperazin-1-yl]-ethanone
CID 656141
N'-[2-(3-ethyl-6-methoxyquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide
CID 3208036
Furan-2-carboxylic acid N'-[2-(3-ethyl-6,7-dimethyl-quinolin-2-ylsulfanyl)-acetyl]-hydrazide
CID 3208143
Furan-2-carboxylic acid N'-[2-(3-ethyl-6-methyl-quinolin-2-ylsulfanyl)-acetyl]-hydrazide
CID 24792455
2-[(2,6-dimethyl-4-quinolinyl)sulfanyl]-N'-(2-furylmethylene)acetohydrazide
CID 56642861
2-(3-Ethyl-6-methyl-quinolin-2-ylsulfanyl)-1-[4-(furan-2-carbonyl)-piperazin-1-yl]-ethanone
CID 651605
2-(3-Cyano-6-methyl-quinolin-2-ylsulfanyl)-N-furan-2-ylmethyl-acetamide
CID 654954
N-(furan-2-ylmethyl)-2-(3,6,7-trimethylquinolin-2-yl)sulfanylacetamide
CID 857007

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,6,8-trimethylquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide?
The IUPAC name of N'-[2-(3,6,8-trimethylquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide (CID 1176167) is N'-[2-(3,6,8-trimethylquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[2-(3,6,8-trimethylquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide?
The canonical SMILES for N'-[2-(3,6,8-trimethylquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide is Cc1cc(C)c2nc(SCC(=O)NNC(=O)c3ccco3)c(C)cc2c1.
What is the InChIKey of N'-[2-(3,6,8-trimethylquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide?
The InChIKey is OXVMJLFZXOKKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-11-7-12(2)17-14(8-11)9-13(3)19(20-17)26-10-16(23)21-22-18(24)15-5-4-6-25-15/h4-9H,10H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(3,6,8-trimethylquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide?
N'-[2-(3,6,8-trimethylquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide has a molecular weight of 369.45 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,6,8-trimethylquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide is sourced from PubChem (CID 1176167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).