N'-[2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide

C19H19N3O3S — CID 1440447

IUPACN'-[2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide
SMILESCCc1cc2ccc(C)cc2nc1SCC(=O)NNC(=O)c1ccco1
InChIInChI=1S/C19H19N3O3S/c1-3-13-10-14-7-6-12(2)9-15(14)20-19(13)26-11-17(23)21-22-18(24)16-5-4-8-25-16/h4-10H,3,11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyLFJQRMXHYORPOU-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.25
Rot. Bonds5

About N'-[2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide

N'-[2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide (PubChem CID 1440447) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N'-[2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide
PubChem CID1440447
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN'-[2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide
SMILESCCc1cc2ccc(C)cc2nc1SCC(=O)NNC(=O)c1ccco1
InChIInChI=1S/C19H19N3O3S/c1-3-13-10-14-7-6-12(2)9-15(14)20-19(13)26-11-17(23)21-22-18(24)16-5-4-8-25-16/h4-10H,3,11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyLFJQRMXHYORPOU-UHFFFAOYSA-N
XLogP3.25
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide?
The IUPAC name of N'-[2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide (CID 1440447) is N'-[2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide?
The canonical SMILES for N'-[2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide is CCc1cc2ccc(C)cc2nc1SCC(=O)NNC(=O)c1ccco1.
What is the InChIKey of N'-[2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide?
The InChIKey is LFJQRMXHYORPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-3-13-10-14-7-6-12(2)9-15(14)20-19(13)26-11-17(23)21-22-18(24)16-5-4-8-25-16/h4-10H,3,11H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide?
N'-[2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide has a molecular weight of 369.45 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide is sourced from PubChem (CID 1440447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).