[1-(3-methyl-1,4-dithian-2-yl)-2-quinolin-4-ylethyl]hydrazine

C16H21N3S2 — CID 105259589

IUPAC[1-(3-methyl-1,4-dithian-2-yl)-2-quinolin-4-ylethyl]hydrazine
SMILESCC1SCCSC1C(Cc1ccnc2ccccc12)NN
InChIInChI=1S/C16H21N3S2/c1-11-16(21-9-8-20-11)15(19-17)10-12-6-7-18-14-5-3-2-4-13(12)14/h2-7,11,15-16,19H,8-10,17H2,1H3
InChIKeyROHIXKXDNZRXRP-UHFFFAOYSA-N
MW319.50 g/mol
LogP2.85
Rot. Bonds4

About [1-(3-methyl-1,4-dithian-2-yl)-2-quinolin-4-ylethyl]hydrazine

[1-(3-methyl-1,4-dithian-2-yl)-2-quinolin-4-ylethyl]hydrazine (PubChem CID 105259589) has the molecular formula C16H21N3S2 and a molecular weight of 319.50 g/mol. Its IUPAC name is [1-(3-methyl-1,4-dithian-2-yl)-2-quinolin-4-ylethyl]hydrazine.

Molecular Properties

Compound Name[1-(3-methyl-1,4-dithian-2-yl)-2-quinolin-4-ylethyl]hydrazine
PubChem CID105259589
Molecular FormulaC16H21N3S2
Molecular Weight319.50 g/mol
Exact Mass319.12
IUPAC Name[1-(3-methyl-1,4-dithian-2-yl)-2-quinolin-4-ylethyl]hydrazine
SMILESCC1SCCSC1C(Cc1ccnc2ccccc12)NN
InChIInChI=1S/C16H21N3S2/c1-11-16(21-9-8-20-11)15(19-17)10-12-6-7-18-14-5-3-2-4-13(12)14/h2-7,11,15-16,19H,8-10,17H2,1H3
InChIKeyROHIXKXDNZRXRP-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
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

[1-(3-methyl-1,4-dithian-2-yl)-2-pyridin-2-ylethyl]hydrazine
CID 105259452
[1-(3-methyl-1,4-dithian-2-yl)-2-(2-methylphenyl)ethyl]hydrazine
CID 105259569
4-[2-hydrazinyl-2-(3-methyl-1,4-dithian-2-yl)ethyl]pyridin-2-amine
CID 105259577
N-ethyl-2-quinolin-4-yl-1-(thiolan-2-yl)ethanamine
CID 80622972
[1-(2,2-dimethylcyclopentyl)-2-quinolin-4-ylethyl]hydrazine
CID 107194203
1-(1,4-dithian-2-yl)-N-ethyl-2-quinolin-4-ylethanamine
CID 79961105
(3-cyclopropyl-1-quinolin-4-ylbutan-2-yl)hydrazine
CID 105316345
N-methyl-1-(2-methylcyclopentyl)-2-quinolin-4-ylethanamine
CID 107189504
N,N-diethyl-3-hydrazinyl-4-quinolin-4-ylbutan-1-amine
CID 105244083
(1-pyridin-4-yl-2-quinolin-4-ylethyl)hydrazine
CID 105196495
(1-propan-2-yloxy-3-quinolin-4-ylpropan-2-yl)hydrazine
CID 105316331
[1-(5-methylpyrimidin-2-yl)-2-quinolin-4-ylethyl]hydrazine
CID 105261543

Frequently Asked Questions

What is the IUPAC name of [1-(3-methyl-1,4-dithian-2-yl)-2-quinolin-4-ylethyl]hydrazine?
The IUPAC name of [1-(3-methyl-1,4-dithian-2-yl)-2-quinolin-4-ylethyl]hydrazine (CID 105259589) is [1-(3-methyl-1,4-dithian-2-yl)-2-quinolin-4-ylethyl]hydrazine.
What is the SMILES notation for [1-(3-methyl-1,4-dithian-2-yl)-2-quinolin-4-ylethyl]hydrazine?
The canonical SMILES for [1-(3-methyl-1,4-dithian-2-yl)-2-quinolin-4-ylethyl]hydrazine is CC1SCCSC1C(Cc1ccnc2ccccc12)NN.
What is the InChIKey of [1-(3-methyl-1,4-dithian-2-yl)-2-quinolin-4-ylethyl]hydrazine?
The InChIKey is ROHIXKXDNZRXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S2/c1-11-16(21-9-8-20-11)15(19-17)10-12-6-7-18-14-5-3-2-4-13(12)14/h2-7,11,15-16,19H,8-10,17H2,1H3.
What are the key properties of [1-(3-methyl-1,4-dithian-2-yl)-2-quinolin-4-ylethyl]hydrazine?
[1-(3-methyl-1,4-dithian-2-yl)-2-quinolin-4-ylethyl]hydrazine has a molecular weight of 319.50 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methyl-1,4-dithian-2-yl)-2-quinolin-4-ylethyl]hydrazine is sourced from PubChem (CID 105259589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).