ethane;ethyl 2-[2-[2-(3-chloroquinolin-6-yl)acetyl]hydrazinyl]-2-oxoacetate

C19H26ClN3O4 — CID 145441118

IUPACethane;ethyl 2-[2-[2-(3-chloroquinolin-6-yl)acetyl]hydrazinyl]-2-oxoacetate
SMILESCC.CC.CCOC(=O)C(=O)NNC(=O)Cc1ccc2ncc(Cl)cc2c1
InChIInChI=1S/C15H14ClN3O4.2C2H6/c1-2-23-15(22)14(21)19-18-13(20)6-9-3-4-12-10(5-9)7-11(16)8-17-12;2*1-2/h3-5,7-8H,2,6H2,1H3,(H,18,20)(H,19,21);2*1-2H3
InChIKeyNPGSIZOLFFFMDK-UHFFFAOYSA-N
MW395.89 g/mol
LogP3.19
Rot. Bonds3

About ethane;ethyl 2-[2-[2-(3-chloroquinolin-6-yl)acetyl]hydrazinyl]-2-oxoacetate

ethane;ethyl 2-[2-[2-(3-chloroquinolin-6-yl)acetyl]hydrazinyl]-2-oxoacetate (PubChem CID 145441118) has the molecular formula C19H26ClN3O4 and a molecular weight of 395.89 g/mol. Its IUPAC name is ethane;ethyl 2-[2-[2-(3-chloroquinolin-6-yl)acetyl]hydrazinyl]-2-oxoacetate.

Molecular Properties

Compound Nameethane;ethyl 2-[2-[2-(3-chloroquinolin-6-yl)acetyl]hydrazinyl]-2-oxoacetate
PubChem CID145441118
Molecular FormulaC19H26ClN3O4
Molecular Weight395.89 g/mol
Exact Mass395.16
IUPAC Nameethane;ethyl 2-[2-[2-(3-chloroquinolin-6-yl)acetyl]hydrazinyl]-2-oxoacetate
SMILESCC.CC.CCOC(=O)C(=O)NNC(=O)Cc1ccc2ncc(Cl)cc2c1
InChIInChI=1S/C15H14ClN3O4.2C2H6/c1-2-23-15(22)14(21)19-18-13(20)6-9-3-4-12-10(5-9)7-11(16)8-17-12;2*1-2/h3-5,7-8H,2,6H2,1H3,(H,18,20)(H,19,21);2*1-2H3
InChIKeyNPGSIZOLFFFMDK-UHFFFAOYSA-N
XLogP3.19
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethane;ethyl 2-[2-[2-(3-chloroquinolin-6-yl)acetyl]hydrazinyl]-2-oxoacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-chloroquinolin-6-yl)acetohydrazide
CID 134178519
ethyl (Z)-3-amino-2-[amino-[(3-chloroquinolin-6-yl)methyl]amino]-4,4,4-trifluorobut-2-enoate
CID 145441196
ethyl 1-[(3-chloroquinolin-6-yl)methyl]-3-(hydroxymethyl)pyrazole-4-carboxylate
CID 134178614
3-chloro-6-(chloromethyl)quinoline;(3-chloroquinolin-6-yl)methanol;ethane
CID 145002031
ethyl 2-[2-[2-(3,5-difluorophenyl)acetyl]hydrazinyl]-2-oxoacetate
CID 156738033
5-[(3-chloroquinolin-6-yl)methyl]-4-methyl-1,2,4-triazole-3-carboxylic acid;ethyl 5-[(3-chloroquinolin-6-yl)methyl]-4-methyl-1,2,4-triazole-3-carboxylate;methane;hydrochloride
CID 159298863
methyl 2-[(3-chloroquinolin-6-yl)methyl]-5-methyltriazole-4-carboxylate
CID 134178625
[3-[[2-(3-chloroquinolin-6-yl)acetyl]amino]-2-oxopropyl] acetate;[2-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazol-5-yl]methyl acetate
CID 159832157
ethyl 2-oxo-3-quinolin-6-ylpropanoate
CID 170993998
sodium;3-[(3-chloroquinolin-6-yl)methyl]-1,2,4-oxadiazole-5-carboxylic acid;ethyl 3-[(3-chloroquinolin-6-yl)methyl]-1,2,4-oxadiazole-5-carboxylate;hydroxide
CID 157136664
sodium;1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxylic acid;ethyl 1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxylate;hydroxide
CID 157262145
2-[[2-(3-chloroquinolin-6-yl)acetyl]amino]-2-pyridin-2-ylacetic acid
CID 140929553

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 2-[2-[2-(3-chloroquinolin-6-yl)acetyl]hydrazinyl]-2-oxoacetate?
The IUPAC name of ethane;ethyl 2-[2-[2-(3-chloroquinolin-6-yl)acetyl]hydrazinyl]-2-oxoacetate (CID 145441118) is ethane;ethyl 2-[2-[2-(3-chloroquinolin-6-yl)acetyl]hydrazinyl]-2-oxoacetate.
What is the SMILES notation for ethane;ethyl 2-[2-[2-(3-chloroquinolin-6-yl)acetyl]hydrazinyl]-2-oxoacetate?
The canonical SMILES for ethane;ethyl 2-[2-[2-(3-chloroquinolin-6-yl)acetyl]hydrazinyl]-2-oxoacetate is CC.CC.CCOC(=O)C(=O)NNC(=O)Cc1ccc2ncc(Cl)cc2c1.
What is the InChIKey of ethane;ethyl 2-[2-[2-(3-chloroquinolin-6-yl)acetyl]hydrazinyl]-2-oxoacetate?
The InChIKey is NPGSIZOLFFFMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O4.2C2H6/c1-2-23-15(22)14(21)19-18-13(20)6-9-3-4-12-10(5-9)7-11(16)8-17-12;2*1-2/h3-5,7-8H,2,6H2,1H3,(H,18,20)(H,19,21);2*1-2H3.
What are the key properties of ethane;ethyl 2-[2-[2-(3-chloroquinolin-6-yl)acetyl]hydrazinyl]-2-oxoacetate?
ethane;ethyl 2-[2-[2-(3-chloroquinolin-6-yl)acetyl]hydrazinyl]-2-oxoacetate has a molecular weight of 395.89 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 2-[2-[2-(3-chloroquinolin-6-yl)acetyl]hydrazinyl]-2-oxoacetate is sourced from PubChem (CID 145441118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).