methyl 2-[(2-hydrazinyl-7-methoxyquinolin-3-yl)methylsulfanyl]acetate

C14H17N3O3S — CID 62251194

IUPACmethyl 2-[(2-hydrazinyl-7-methoxyquinolin-3-yl)methylsulfanyl]acetate
SMILESCOC(=O)CSCc1cc2ccc(OC)cc2nc1NN
InChIInChI=1S/C14H17N3O3S/c1-19-11-4-3-9-5-10(7-21-8-13(18)20-2)14(17-15)16-12(9)6-11/h3-6H,7-8,15H2,1-2H3,(H,16,17)
InChIKeyWXOHXDCPFDWWKG-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.94
Rot. Bonds6

About methyl 2-[(2-hydrazinyl-7-methoxyquinolin-3-yl)methylsulfanyl]acetate

methyl 2-[(2-hydrazinyl-7-methoxyquinolin-3-yl)methylsulfanyl]acetate (PubChem CID 62251194) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is methyl 2-[(2-hydrazinyl-7-methoxyquinolin-3-yl)methylsulfanyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-hydrazinyl-7-methoxyquinolin-3-yl)methylsulfanyl]acetate
PubChem CID62251194
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Namemethyl 2-[(2-hydrazinyl-7-methoxyquinolin-3-yl)methylsulfanyl]acetate
SMILESCOC(=O)CSCc1cc2ccc(OC)cc2nc1NN
InChIInChI=1S/C14H17N3O3S/c1-19-11-4-3-9-5-10(7-21-8-13(18)20-2)14(17-15)16-12(9)6-11/h3-6H,7-8,15H2,1-2H3,(H,16,17)
InChIKeyWXOHXDCPFDWWKG-UHFFFAOYSA-N
XLogP1.94
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[7-methoxy-3-(methylsulfanylmethyl)quinolin-2-yl]hydrazine
CID 62251762
[3-(ethoxymethyl)-7-methoxyquinolin-2-yl]hydrazine
CID 62245819
N-ethyl-N-[(2-hydrazinyl-7-methoxyquinolin-3-yl)methyl]ethanamine
CID 62244421
2-[[2-(ethylamino)-7-methoxyquinolin-3-yl]methylsulfanyl]ethanol
CID 62188625
7-methoxy-3-(2-methoxyethylsulfanylmethyl)-N-methylquinolin-2-amine
CID 62189479
N-ethyl-7-methoxy-3-(2-methoxyethylsulfanylmethyl)quinolin-2-amine
CID 62189480
3-[[7-methoxy-2-(methylamino)quinolin-3-yl]methylsulfanyl]butan-2-ol
CID 107771944
7-methoxy-3-(3-methylbutylsulfanylmethyl)quinolin-2-amine
CID 107756672
(2-amino-7-methoxyquinolin-3-yl)methanol
CID 62194670
2-(4-aminobutylamino)-7-methoxyquinoline-3-carboxylic acid
CID 10379413
3-(cyclopentylsulfanylmethyl)-7-methoxy-N-methylquinolin-2-amine
CID 63485538
3-ethyl-7-methoxy-2-methylquinoline
CID 90882709

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-hydrazinyl-7-methoxyquinolin-3-yl)methylsulfanyl]acetate?
The IUPAC name of methyl 2-[(2-hydrazinyl-7-methoxyquinolin-3-yl)methylsulfanyl]acetate (CID 62251194) is methyl 2-[(2-hydrazinyl-7-methoxyquinolin-3-yl)methylsulfanyl]acetate.
What is the SMILES notation for methyl 2-[(2-hydrazinyl-7-methoxyquinolin-3-yl)methylsulfanyl]acetate?
The canonical SMILES for methyl 2-[(2-hydrazinyl-7-methoxyquinolin-3-yl)methylsulfanyl]acetate is COC(=O)CSCc1cc2ccc(OC)cc2nc1NN.
What is the InChIKey of methyl 2-[(2-hydrazinyl-7-methoxyquinolin-3-yl)methylsulfanyl]acetate?
The InChIKey is WXOHXDCPFDWWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-19-11-4-3-9-5-10(7-21-8-13(18)20-2)14(17-15)16-12(9)6-11/h3-6H,7-8,15H2,1-2H3,(H,16,17).
What are the key properties of methyl 2-[(2-hydrazinyl-7-methoxyquinolin-3-yl)methylsulfanyl]acetate?
methyl 2-[(2-hydrazinyl-7-methoxyquinolin-3-yl)methylsulfanyl]acetate has a molecular weight of 307.38 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-hydrazinyl-7-methoxyquinolin-3-yl)methylsulfanyl]acetate is sourced from PubChem (CID 62251194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).