[7-methoxy-3-(methylsulfanylmethyl)quinolin-2-yl]hydrazine

C12H15N3OS — CID 62251762

IUPAC[7-methoxy-3-(methylsulfanylmethyl)quinolin-2-yl]hydrazine
SMILESCOc1ccc2cc(CSC)c(NN)nc2c1
InChIInChI=1S/C12H15N3OS/c1-16-10-4-3-8-5-9(7-17-2)12(15-13)14-11(8)6-10/h3-6H,7,13H2,1-2H3,(H,14,15)
InChIKeyCWBFMAOFFDBWOM-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.39
Rot. Bonds4

About [7-methoxy-3-(methylsulfanylmethyl)quinolin-2-yl]hydrazine

[7-methoxy-3-(methylsulfanylmethyl)quinolin-2-yl]hydrazine (PubChem CID 62251762) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is [7-methoxy-3-(methylsulfanylmethyl)quinolin-2-yl]hydrazine.

Molecular Properties

Compound Name[7-methoxy-3-(methylsulfanylmethyl)quinolin-2-yl]hydrazine
PubChem CID62251762
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name[7-methoxy-3-(methylsulfanylmethyl)quinolin-2-yl]hydrazine
SMILESCOc1ccc2cc(CSC)c(NN)nc2c1
InChIInChI=1S/C12H15N3OS/c1-16-10-4-3-8-5-9(7-17-2)12(15-13)14-11(8)6-10/h3-6H,7,13H2,1-2H3,(H,14,15)
InChIKeyCWBFMAOFFDBWOM-UHFFFAOYSA-N
XLogP2.39
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

methyl 2-[(2-hydrazinyl-7-methoxyquinolin-3-yl)methylsulfanyl]acetate
CID 62251194
[3-(ethoxymethyl)-7-methoxyquinolin-2-yl]hydrazine
CID 62245819
N-ethyl-N-[(2-hydrazinyl-7-methoxyquinolin-3-yl)methyl]ethanamine
CID 62244421
7-methoxy-3-(2-methoxyethylsulfanylmethyl)-N-methylquinolin-2-amine
CID 62189479
3-[[7-methoxy-2-(methylamino)quinolin-3-yl]methylsulfanyl]butan-2-ol
CID 107771944
3-(cyclopentylsulfanylmethyl)-7-methoxy-N-methylquinolin-2-amine
CID 63485538
N-ethyl-7-methoxy-3-(2-methoxyethylsulfanylmethyl)quinolin-2-amine
CID 62189480
2-[[2-(ethylamino)-7-methoxyquinolin-3-yl]methylsulfanyl]ethanol
CID 62188625
(2-amino-7-methoxyquinolin-3-yl)methanol
CID 62194670
7-methoxy-N-methyl-3-(1,3-oxazol-2-ylsulfanylmethyl)quinolin-2-amine
CID 106925505
[2-(difluoromethyl)-7-methoxyquinolin-3-yl]hydrazine
CID 165488381
7-methoxy-3-(methoxymethyl)-N-propylquinolin-2-amine
CID 62194206

Frequently Asked Questions

What is the IUPAC name of [7-methoxy-3-(methylsulfanylmethyl)quinolin-2-yl]hydrazine?
The IUPAC name of [7-methoxy-3-(methylsulfanylmethyl)quinolin-2-yl]hydrazine (CID 62251762) is [7-methoxy-3-(methylsulfanylmethyl)quinolin-2-yl]hydrazine.
What is the SMILES notation for [7-methoxy-3-(methylsulfanylmethyl)quinolin-2-yl]hydrazine?
The canonical SMILES for [7-methoxy-3-(methylsulfanylmethyl)quinolin-2-yl]hydrazine is COc1ccc2cc(CSC)c(NN)nc2c1.
What is the InChIKey of [7-methoxy-3-(methylsulfanylmethyl)quinolin-2-yl]hydrazine?
The InChIKey is CWBFMAOFFDBWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-16-10-4-3-8-5-9(7-17-2)12(15-13)14-11(8)6-10/h3-6H,7,13H2,1-2H3,(H,14,15).
What are the key properties of [7-methoxy-3-(methylsulfanylmethyl)quinolin-2-yl]hydrazine?
[7-methoxy-3-(methylsulfanylmethyl)quinolin-2-yl]hydrazine has a molecular weight of 249.34 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-methoxy-3-(methylsulfanylmethyl)quinolin-2-yl]hydrazine is sourced from PubChem (CID 62251762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).