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

C21H27N3O2S — CID 1440438

IUPACN'-[2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetyl]cyclohexanecarbohydrazide
SMILESCCc1cc2ccc(C)cc2nc1SCC(=O)NNC(=O)C1CCCCC1
InChIInChI=1S/C21H27N3O2S/c1-3-15-12-17-10-9-14(2)11-18(17)22-21(15)27-13-19(25)23-24-20(26)16-7-5-4-6-8-16/h9-12,16H,3-8,13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyLKSPKELWJAPLHO-UHFFFAOYSA-N
MW385.53 g/mol
LogP3.93
Rot. Bonds5

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

N'-[2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetyl]cyclohexanecarbohydrazide (PubChem CID 1440438) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is N'-[2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetyl]cyclohexanecarbohydrazide.

Molecular Properties

Compound NameN'-[2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetyl]cyclohexanecarbohydrazide
PubChem CID1440438
Molecular FormulaC21H27N3O2S
Molecular Weight385.53 g/mol
Exact Mass385.18
IUPAC NameN'-[2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetyl]cyclohexanecarbohydrazide
SMILESCCc1cc2ccc(C)cc2nc1SCC(=O)NNC(=O)C1CCCCC1
InChIInChI=1S/C21H27N3O2S/c1-3-15-12-17-10-9-14(2)11-18(17)22-21(15)27-13-19(25)23-24-20(26)16-7-5-4-6-8-16/h9-12,16H,3-8,13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyLKSPKELWJAPLHO-UHFFFAOYSA-N
XLogP3.93
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanylacetyl]cyclohexanecarbohydrazide
CID 3208084
2-(3-ethyl-7-methylquinolin-2-yl)sulfanyl-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 857940
2-(3-ethyl-7-methylquinolin-2-yl)sulfanyl-1-(3-methylpiperidin-1-yl)ethanone
CID 3206706
N-(2,5-dimethylphenyl)-2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetamide
CID 1440391
N'-[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]cyclohexanecarbohydrazide
CID 1435013
N-[4-(dimethylamino)phenyl]-2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetamide
CID 1440475
N'-(2-phenylsulfanylacetyl)cyclohexanecarbohydrazide
CID 2122299
N'-[2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetyl]-3-methylbenzohydrazide
CID 3208297
N'-[2-(2-methoxy-5-methylphenyl)acetyl]cyclohexanecarbohydrazide
CID 9327312
2-(3-ethyl-7-methylquinolin-2-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 649232
N'-acetyl-2-(3-ethyl-6,8-dimethylquinolin-2-yl)sulfanylacetohydrazide
CID 860700
2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-cyclohexyl-N-methylacetamide
CID 1156425

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetyl]cyclohexanecarbohydrazide?
The IUPAC name of N'-[2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetyl]cyclohexanecarbohydrazide (CID 1440438) is N'-[2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetyl]cyclohexanecarbohydrazide.
What is the SMILES notation for N'-[2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetyl]cyclohexanecarbohydrazide?
The canonical SMILES for N'-[2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetyl]cyclohexanecarbohydrazide is CCc1cc2ccc(C)cc2nc1SCC(=O)NNC(=O)C1CCCCC1.
What is the InChIKey of N'-[2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetyl]cyclohexanecarbohydrazide?
The InChIKey is LKSPKELWJAPLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2S/c1-3-15-12-17-10-9-14(2)11-18(17)22-21(15)27-13-19(25)23-24-20(26)16-7-5-4-6-8-16/h9-12,16H,3-8,13H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N'-[2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetyl]cyclohexanecarbohydrazide?
N'-[2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetyl]cyclohexanecarbohydrazide has a molecular weight of 385.53 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetyl]cyclohexanecarbohydrazide is sourced from PubChem (CID 1440438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).