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

C21H27N3O3S — CID 3208084

IUPACN'-[2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanylacetyl]cyclohexanecarbohydrazide
SMILESCCc1cc2ccc(OC)cc2nc1SCC(=O)NNC(=O)C1CCCCC1
InChIInChI=1S/C21H27N3O3S/c1-3-14-11-16-9-10-17(27-2)12-18(16)22-21(14)28-13-19(25)23-24-20(26)15-7-5-4-6-8-15/h9-12,15H,3-8,13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyQAIBJNMQIWQCAK-UHFFFAOYSA-N
MW401.53 g/mol
LogP3.63
Rot. Bonds6

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

N'-[2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanylacetyl]cyclohexanecarbohydrazide (PubChem CID 3208084) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is N'-[2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanylacetyl]cyclohexanecarbohydrazide.

Molecular Properties

Compound NameN'-[2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanylacetyl]cyclohexanecarbohydrazide
PubChem CID3208084
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC NameN'-[2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanylacetyl]cyclohexanecarbohydrazide
SMILESCCc1cc2ccc(OC)cc2nc1SCC(=O)NNC(=O)C1CCCCC1
InChIInChI=1S/C21H27N3O3S/c1-3-14-11-16-9-10-17(27-2)12-18(16)22-21(14)28-13-19(25)23-24-20(26)15-7-5-4-6-8-15/h9-12,15H,3-8,13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyQAIBJNMQIWQCAK-UHFFFAOYSA-N
XLogP3.63
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 53.63
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-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetyl]cyclohexanecarbohydrazide
CID 1440438
2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 3208098
N'-[2-(4-methoxyphenyl)acetyl]cyclohexanecarbohydrazide
CID 965816
N'-[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]cyclohexanecarbohydrazide
CID 1435013
N-(3,5-dimethoxyphenyl)-2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetamide
CID 1440450
N-(2,4-dimethoxyphenyl)-2-[(8-ethyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]acetamide
CID 3208334
N'-(2-phenylsulfanylacetyl)cyclohexanecarbohydrazide
CID 2122299
N-(2,5-dimethoxyphenyl)-2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide
CID 3208256
ethyl (3R)-1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]piperidine-3-carboxylate
CID 26201452
2-(3-ethyl-7-methylquinolin-2-yl)sulfanyl-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 857940
2-chloro-3-(cyclohexyloxymethyl)-7-methoxyquinoline
CID 60922487
2-(3-cyano-7-methoxyquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide
CID 3780179

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanylacetyl]cyclohexanecarbohydrazide?
The IUPAC name of N'-[2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanylacetyl]cyclohexanecarbohydrazide (CID 3208084) is N'-[2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanylacetyl]cyclohexanecarbohydrazide.
What is the SMILES notation for N'-[2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanylacetyl]cyclohexanecarbohydrazide?
The canonical SMILES for N'-[2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanylacetyl]cyclohexanecarbohydrazide is CCc1cc2ccc(OC)cc2nc1SCC(=O)NNC(=O)C1CCCCC1.
What is the InChIKey of N'-[2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanylacetyl]cyclohexanecarbohydrazide?
The InChIKey is QAIBJNMQIWQCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-3-14-11-16-9-10-17(27-2)12-18(16)22-21(14)28-13-19(25)23-24-20(26)15-7-5-4-6-8-15/h9-12,15H,3-8,13H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N'-[2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanylacetyl]cyclohexanecarbohydrazide?
N'-[2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanylacetyl]cyclohexanecarbohydrazide has a molecular weight of 401.53 g/mol, XLogP of 3.63, 6 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-methoxyquinolin-2-yl)sulfanylacetyl]cyclohexanecarbohydrazide is sourced from PubChem (CID 3208084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).