N'-[2-(3-ethyl-5,8-dimethylquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide

C20H21N3O3S — CID 3208186

IUPACN'-[2-(3-ethyl-5,8-dimethylquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide
SMILESCCc1cc2c(C)ccc(C)c2nc1SCC(=O)NNC(=O)c1ccco1
InChIInChI=1S/C20H21N3O3S/c1-4-14-10-15-12(2)7-8-13(3)18(15)21-20(14)27-11-17(24)22-23-19(25)16-6-5-9-26-16/h5-10H,4,11H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyAYKBKCHZELIITG-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.56
Rot. Bonds5

About N'-[2-(3-ethyl-5,8-dimethylquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide

N'-[2-(3-ethyl-5,8-dimethylquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide (PubChem CID 3208186) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N'-[2-(3-ethyl-5,8-dimethylquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(3-ethyl-5,8-dimethylquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide
PubChem CID3208186
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN'-[2-(3-ethyl-5,8-dimethylquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide
SMILESCCc1cc2c(C)ccc(C)c2nc1SCC(=O)NNC(=O)c1ccco1
InChIInChI=1S/C20H21N3O3S/c1-4-14-10-15-12(2)7-8-13(3)18(15)21-20(14)27-11-17(24)22-23-19(25)16-6-5-9-26-16/h5-10H,4,11H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyAYKBKCHZELIITG-UHFFFAOYSA-N
XLogP3.56
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.56
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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Related Compounds

N'-[2-[(8-ethyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]acetyl]furan-2-carbohydrazide
CID 3208350
N'-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]furan-2-carbohydrazide
CID 17442210
N'-acetyl-2-(3-ethyl-6,8-dimethylquinolin-2-yl)sulfanylacetohydrazide
CID 860700
N'-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]furan-2-carbohydrazide
CID 7682977
2-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 40727991
N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]furan-2-carbohydrazide
CID 7756427
N'-[2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]furan-2-carbohydrazide
CID 7816367
N'-[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide
CID 7646637
2-(3-ethyl-8-methylquinolin-2-yl)sulfanylacetic acid
CID 855595
ethyl 2-(3,5,8-trimethylquinolin-2-yl)sulfanylacetate
CID 862895
N'-[2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]furan-2-carbohydrazide
CID 4790912
N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]furan-2-carbohydrazide
CID 18159487

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-ethyl-5,8-dimethylquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide?
The IUPAC name of N'-[2-(3-ethyl-5,8-dimethylquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide (CID 3208186) is N'-[2-(3-ethyl-5,8-dimethylquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[2-(3-ethyl-5,8-dimethylquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide?
The canonical SMILES for N'-[2-(3-ethyl-5,8-dimethylquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide is CCc1cc2c(C)ccc(C)c2nc1SCC(=O)NNC(=O)c1ccco1.
What is the InChIKey of N'-[2-(3-ethyl-5,8-dimethylquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide?
The InChIKey is AYKBKCHZELIITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-4-14-10-15-12(2)7-8-13(3)18(15)21-20(14)27-11-17(24)22-23-19(25)16-6-5-9-26-16/h5-10H,4,11H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(3-ethyl-5,8-dimethylquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide?
N'-[2-(3-ethyl-5,8-dimethylquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide has a molecular weight of 383.47 g/mol, XLogP of 3.56, 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-5,8-dimethylquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide is sourced from PubChem (CID 3208186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).