2,6-dimethyl-N'-(1-quinolin-2-ylethyl)morpholine-4-carbothiohydrazide

C18H24N4OS — CID 3006017

IUPAC2,6-dimethyl-N'-(1-quinolin-2-ylethyl)morpholine-4-carbothiohydrazide
SMILESCC1CN(C(=S)NNC(C)c2ccc3ccccc3n2)CC(C)O1
InChIInChI=1S/C18H24N4OS/c1-12-10-22(11-13(2)23-12)18(24)21-20-14(3)16-9-8-15-6-4-5-7-17(15)19-16/h4-9,12-14,20H,10-11H2,1-3H3,(H,21,24)
InChIKeyFBAWXTFQHAESEE-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.78
Rot. Bonds3

About 2,6-dimethyl-N'-(1-quinolin-2-ylethyl)morpholine-4-carbothiohydrazide

2,6-dimethyl-N'-(1-quinolin-2-ylethyl)morpholine-4-carbothiohydrazide (PubChem CID 3006017) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 2,6-dimethyl-N'-(1-quinolin-2-ylethyl)morpholine-4-carbothiohydrazide.

Molecular Properties

Compound Name2,6-dimethyl-N'-(1-quinolin-2-ylethyl)morpholine-4-carbothiohydrazide
PubChem CID3006017
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name2,6-dimethyl-N'-(1-quinolin-2-ylethyl)morpholine-4-carbothiohydrazide
SMILESCC1CN(C(=S)NNC(C)c2ccc3ccccc3n2)CC(C)O1
InChIInChI=1S/C18H24N4OS/c1-12-10-22(11-13(2)23-12)18(24)21-20-14(3)16-9-8-15-6-4-5-7-17(15)19-16/h4-9,12-14,20H,10-11H2,1-3H3,(H,21,24)
InChIKeyFBAWXTFQHAESEE-UHFFFAOYSA-N
XLogP2.78
TPSA49.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N'-(1-quinolin-2-ylethyl)morpholine-4-carbothiohydrazide?
The IUPAC name of 2,6-dimethyl-N'-(1-quinolin-2-ylethyl)morpholine-4-carbothiohydrazide (CID 3006017) is 2,6-dimethyl-N'-(1-quinolin-2-ylethyl)morpholine-4-carbothiohydrazide.
What is the SMILES notation for 2,6-dimethyl-N'-(1-quinolin-2-ylethyl)morpholine-4-carbothiohydrazide?
The canonical SMILES for 2,6-dimethyl-N'-(1-quinolin-2-ylethyl)morpholine-4-carbothiohydrazide is CC1CN(C(=S)NNC(C)c2ccc3ccccc3n2)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-N'-(1-quinolin-2-ylethyl)morpholine-4-carbothiohydrazide?
The InChIKey is FBAWXTFQHAESEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-12-10-22(11-13(2)23-12)18(24)21-20-14(3)16-9-8-15-6-4-5-7-17(15)19-16/h4-9,12-14,20H,10-11H2,1-3H3,(H,21,24).
What are the key properties of 2,6-dimethyl-N'-(1-quinolin-2-ylethyl)morpholine-4-carbothiohydrazide?
2,6-dimethyl-N'-(1-quinolin-2-ylethyl)morpholine-4-carbothiohydrazide has a molecular weight of 344.48 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N'-(1-quinolin-2-ylethyl)morpholine-4-carbothiohydrazide is sourced from PubChem (CID 3006017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).