N'-acetyl-2-(3-ethyl-6,8-dimethylquinolin-2-yl)sulfanylacetohydrazide

C17H21N3O2S — CID 860700

IUPACN'-acetyl-2-(3-ethyl-6,8-dimethylquinolin-2-yl)sulfanylacetohydrazide
SMILESCCc1cc2cc(C)cc(C)c2nc1SCC(=O)NNC(C)=O
InChIInChI=1S/C17H21N3O2S/c1-5-13-8-14-7-10(2)6-11(3)16(14)18-17(13)23-9-15(22)20-19-12(4)21/h6-8H,5,9H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyDQQZTGWCRJKAID-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.67
Rot. Bonds4

About N'-acetyl-2-(3-ethyl-6,8-dimethylquinolin-2-yl)sulfanylacetohydrazide

N'-acetyl-2-(3-ethyl-6,8-dimethylquinolin-2-yl)sulfanylacetohydrazide (PubChem CID 860700) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N'-acetyl-2-(3-ethyl-6,8-dimethylquinolin-2-yl)sulfanylacetohydrazide.

Molecular Properties

Compound NameN'-acetyl-2-(3-ethyl-6,8-dimethylquinolin-2-yl)sulfanylacetohydrazide
PubChem CID860700
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN'-acetyl-2-(3-ethyl-6,8-dimethylquinolin-2-yl)sulfanylacetohydrazide
SMILESCCc1cc2cc(C)cc(C)c2nc1SCC(=O)NNC(C)=O
InChIInChI=1S/C17H21N3O2S/c1-5-13-8-14-7-10(2)6-11(3)16(14)18-17(13)23-9-15(22)20-19-12(4)21/h6-8H,5,9H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyDQQZTGWCRJKAID-UHFFFAOYSA-N
XLogP2.67
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.67
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

4-chloro-N'-[2-(3,6,8-trimethylquinolin-2-yl)sulfanylacetyl]benzohydrazide
CID 1176169
N'-[2-(3-ethyl-5,8-dimethylquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide
CID 3208186
2-(3-ethyl-8-methylquinolin-2-yl)sulfanylacetic acid
CID 855595
N'-[2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetyl]cyclohexanecarbohydrazide
CID 1440438
N-(1,3-benzodioxol-5-yl)-2-(3,6,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 1138708
2-(3-cyano-6,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 3207775
N-(2,5-dimethylphenyl)-2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetamide
CID 1440391
2-(3-ethyl-8-methylquinolin-2-yl)sulfanylacetate
CID 7383523
2-(3-cyano-6,8-dimethylquinolin-2-yl)sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 3207807
2-(2-chloro-6,8-dimethylquinolin-3-yl)acetic acid
CID 84633593
N'-acetyl-2-(4-methylphenyl)sulfanylacetohydrazide
CID 17394299
2-(3-ethyl-8-methylquinolin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3207972

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-2-(3-ethyl-6,8-dimethylquinolin-2-yl)sulfanylacetohydrazide?
The IUPAC name of N'-acetyl-2-(3-ethyl-6,8-dimethylquinolin-2-yl)sulfanylacetohydrazide (CID 860700) is N'-acetyl-2-(3-ethyl-6,8-dimethylquinolin-2-yl)sulfanylacetohydrazide.
What is the SMILES notation for N'-acetyl-2-(3-ethyl-6,8-dimethylquinolin-2-yl)sulfanylacetohydrazide?
The canonical SMILES for N'-acetyl-2-(3-ethyl-6,8-dimethylquinolin-2-yl)sulfanylacetohydrazide is CCc1cc2cc(C)cc(C)c2nc1SCC(=O)NNC(C)=O.
What is the InChIKey of N'-acetyl-2-(3-ethyl-6,8-dimethylquinolin-2-yl)sulfanylacetohydrazide?
The InChIKey is DQQZTGWCRJKAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-5-13-8-14-7-10(2)6-11(3)16(14)18-17(13)23-9-15(22)20-19-12(4)21/h6-8H,5,9H2,1-4H3,(H,19,21)(H,20,22).
What are the key properties of N'-acetyl-2-(3-ethyl-6,8-dimethylquinolin-2-yl)sulfanylacetohydrazide?
N'-acetyl-2-(3-ethyl-6,8-dimethylquinolin-2-yl)sulfanylacetohydrazide has a molecular weight of 331.44 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-2-(3-ethyl-6,8-dimethylquinolin-2-yl)sulfanylacetohydrazide is sourced from PubChem (CID 860700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).