2-(3-chloro-8-methylquinolin-6-yl)acetohydrazide;ethane

C16H24ClN3O — CID 145440918

IUPAC2-(3-chloro-8-methylquinolin-6-yl)acetohydrazide;ethane
SMILESCC.CC.Cc1cc(CC(=O)NN)cc2cc(Cl)cnc12
InChIInChI=1S/C12H12ClN3O.2C2H6/c1-7-2-8(4-11(17)16-14)3-9-5-10(13)6-15-12(7)9;2*1-2/h2-3,5-6H,4,14H2,1H3,(H,16,17);2*1-2H3
InChIKeyMUIJVKGDAUEQAA-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.78
Rot. Bonds2

About 2-(3-chloro-8-methylquinolin-6-yl)acetohydrazide;ethane

2-(3-chloro-8-methylquinolin-6-yl)acetohydrazide;ethane (PubChem CID 145440918) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-(3-chloro-8-methylquinolin-6-yl)acetohydrazide;ethane.

Molecular Properties

Compound Name2-(3-chloro-8-methylquinolin-6-yl)acetohydrazide;ethane
PubChem CID145440918
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name2-(3-chloro-8-methylquinolin-6-yl)acetohydrazide;ethane
SMILESCC.CC.Cc1cc(CC(=O)NN)cc2cc(Cl)cnc12
InChIInChI=1S/C12H12ClN3O.2C2H6/c1-7-2-8(4-11(17)16-14)3-9-5-10(13)6-15-12(7)9;2*1-2/h2-3,5-6H,4,14H2,1H3,(H,16,17);2*1-2H3
InChIKeyMUIJVKGDAUEQAA-UHFFFAOYSA-N
XLogP3.78
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloro-8-fluoroquinolin-6-yl)acetohydrazide
CID 134178070
2-(3-chloroquinolin-6-yl)acetohydrazide
CID 134178519
tert-butyl N-[[2-(3-chloro-8-iodoquinolin-6-yl)acetyl]amino]carbamate;2-(3-chloro-8-iodoquinolin-6-yl)acetohydrazide
CID 160697243
2-(2-methylpyrimidin-5-yl)acetohydrazide
CID 46705518
ethane;ethyl 2-[2-[2-(3-chloroquinolin-6-yl)acetyl]hydrazinyl]-2-oxoacetate
CID 145441118
ethane;methyl 3-chloro-8-fluoroquinoline-6-carboxylate
CID 145002118
dimethyl 8-methylquinoline-3,6-dicarboxylate
CID 164676656
[3-chloro-6-[(4-methyl-2-pyridinyl)methyl]quinolin-8-yl]methyl acetate;ethane;methyl formate
CID 145222367
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-4-(difluoromethyl)-1,3-oxazole-5-carboxamide
CID 139330009
2-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)acetohydrazide
CID 82530675
3-(4-chloro-2-methylphenoxy)propanehydrazide
CID 63574293
3-(3-bromo-8-methylquinolin-6-yl)-N-tert-butyl-2-methylsulfanylpropanamide
CID 135030177

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-8-methylquinolin-6-yl)acetohydrazide;ethane?
The IUPAC name of 2-(3-chloro-8-methylquinolin-6-yl)acetohydrazide;ethane (CID 145440918) is 2-(3-chloro-8-methylquinolin-6-yl)acetohydrazide;ethane.
What is the SMILES notation for 2-(3-chloro-8-methylquinolin-6-yl)acetohydrazide;ethane?
The canonical SMILES for 2-(3-chloro-8-methylquinolin-6-yl)acetohydrazide;ethane is CC.CC.Cc1cc(CC(=O)NN)cc2cc(Cl)cnc12.
What is the InChIKey of 2-(3-chloro-8-methylquinolin-6-yl)acetohydrazide;ethane?
The InChIKey is MUIJVKGDAUEQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O.2C2H6/c1-7-2-8(4-11(17)16-14)3-9-5-10(13)6-15-12(7)9;2*1-2/h2-3,5-6H,4,14H2,1H3,(H,16,17);2*1-2H3.
What are the key properties of 2-(3-chloro-8-methylquinolin-6-yl)acetohydrazide;ethane?
2-(3-chloro-8-methylquinolin-6-yl)acetohydrazide;ethane has a molecular weight of 309.84 g/mol, XLogP of 3.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-8-methylquinolin-6-yl)acetohydrazide;ethane is sourced from PubChem (CID 145440918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).