[(3-ethyl-1,4-dithian-2-yl)-quinolin-7-ylmethyl]hydrazine

C16H21N3S2 — CID 105259841

IUPAC[(3-ethyl-1,4-dithian-2-yl)-quinolin-7-ylmethyl]hydrazine
SMILESCCC1SCCSC1C(NN)c1ccc2cccnc2c1
InChIInChI=1S/C16H21N3S2/c1-2-14-16(21-9-8-20-14)15(19-17)12-6-5-11-4-3-7-18-13(11)10-12/h3-7,10,14-16,19H,2,8-9,17H2,1H3
InChIKeySDKLPJZXVKKTEU-UHFFFAOYSA-N
MW319.50 g/mol
LogP3.37
Rot. Bonds4

About [(3-ethyl-1,4-dithian-2-yl)-quinolin-7-ylmethyl]hydrazine

[(3-ethyl-1,4-dithian-2-yl)-quinolin-7-ylmethyl]hydrazine (PubChem CID 105259841) has the molecular formula C16H21N3S2 and a molecular weight of 319.50 g/mol. Its IUPAC name is [(3-ethyl-1,4-dithian-2-yl)-quinolin-7-ylmethyl]hydrazine.

Molecular Properties

Compound Name[(3-ethyl-1,4-dithian-2-yl)-quinolin-7-ylmethyl]hydrazine
PubChem CID105259841
Molecular FormulaC16H21N3S2
Molecular Weight319.50 g/mol
Exact Mass319.12
IUPAC Name[(3-ethyl-1,4-dithian-2-yl)-quinolin-7-ylmethyl]hydrazine
SMILESCCC1SCCSC1C(NN)c1ccc2cccnc2c1
InChIInChI=1S/C16H21N3S2/c1-2-14-16(21-9-8-20-14)15(19-17)12-6-5-11-4-3-7-18-13(11)10-12/h3-7,10,14-16,19H,2,8-9,17H2,1H3
InChIKeySDKLPJZXVKKTEU-UHFFFAOYSA-N
XLogP3.37
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.50
LogP ≤ 53.37
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

[(4-tert-butylphenyl)-(3-ethyl-1,4-dithian-2-yl)methyl]hydrazine
CID 105260045
[(3-cyclobutylphenyl)-(3-ethyl-1,4-dithian-2-yl)methyl]hydrazine
CID 105259848
N-[quinolin-7-yl(thiolan-2-yl)methyl]ethanamine
CID 81224734
N-[(2-methylcyclopropyl)-quinolin-7-ylmethyl]ethanamine
CID 81231204
1-(3-ethylcyclopentyl)-N-methyl-1-quinolin-7-ylmethanamine
CID 81231705
(2-cyclopentyl-1-quinolin-7-ylethyl)hydrazine
CID 105327558
(2-ethyl-2-methoxy-1-quinolin-7-ylbutyl)hydrazine
CID 105275332
N-methyl-1-quinolin-7-yl-1-(thiolan-3-yl)methanamine
CID 105172644
(3-ethyl-1,4-dithian-2-yl)-quinolin-3-ylmethanamine
CID 115387663
[(4-propylthiadiazol-5-yl)-quinolin-7-ylmethyl]hydrazine
CID 105327517
N-methyl-1-(1,4-oxathian-2-yl)-1-quinolin-7-ylmethanamine
CID 81231155
(2-methoxy-1-quinolin-7-ylethyl)hydrazine
CID 105207158

Frequently Asked Questions

What is the IUPAC name of [(3-ethyl-1,4-dithian-2-yl)-quinolin-7-ylmethyl]hydrazine?
The IUPAC name of [(3-ethyl-1,4-dithian-2-yl)-quinolin-7-ylmethyl]hydrazine (CID 105259841) is [(3-ethyl-1,4-dithian-2-yl)-quinolin-7-ylmethyl]hydrazine.
What is the SMILES notation for [(3-ethyl-1,4-dithian-2-yl)-quinolin-7-ylmethyl]hydrazine?
The canonical SMILES for [(3-ethyl-1,4-dithian-2-yl)-quinolin-7-ylmethyl]hydrazine is CCC1SCCSC1C(NN)c1ccc2cccnc2c1.
What is the InChIKey of [(3-ethyl-1,4-dithian-2-yl)-quinolin-7-ylmethyl]hydrazine?
The InChIKey is SDKLPJZXVKKTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S2/c1-2-14-16(21-9-8-20-14)15(19-17)12-6-5-11-4-3-7-18-13(11)10-12/h3-7,10,14-16,19H,2,8-9,17H2,1H3.
What are the key properties of [(3-ethyl-1,4-dithian-2-yl)-quinolin-7-ylmethyl]hydrazine?
[(3-ethyl-1,4-dithian-2-yl)-quinolin-7-ylmethyl]hydrazine has a molecular weight of 319.50 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-ethyl-1,4-dithian-2-yl)-quinolin-7-ylmethyl]hydrazine is sourced from PubChem (CID 105259841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).