2-[3-methoxypropyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbothioamide

C15H23N3OS — CID 63008638

IUPAC2-[3-methoxypropyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbothioamide
SMILESCOCCCN(C)c1nc2c(cc1C(N)=S)CCCC2
InChIInChI=1S/C15H23N3OS/c1-18(8-5-9-19-2)15-12(14(16)20)10-11-6-3-4-7-13(11)17-15/h10H,3-9H2,1-2H3,(H2,16,20)
InChIKeyOVELWHUDVIALNO-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.07
Rot. Bonds6

About 2-[3-methoxypropyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbothioamide

2-[3-methoxypropyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbothioamide (PubChem CID 63008638) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 2-[3-methoxypropyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbothioamide.

Molecular Properties

Compound Name2-[3-methoxypropyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbothioamide
PubChem CID63008638
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name2-[3-methoxypropyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbothioamide
SMILESCOCCCN(C)c1nc2c(cc1C(N)=S)CCCC2
InChIInChI=1S/C15H23N3OS/c1-18(8-5-9-19-2)15-12(14(16)20)10-11-6-3-4-7-13(11)17-15/h10H,3-9H2,1-2H3,(H2,16,20)
InChIKeyOVELWHUDVIALNO-UHFFFAOYSA-N
XLogP2.07
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-(aminomethyl)-N-(3-methoxypropyl)-N-methyl-5,6,7,8-tetrahydroquinolin-2-amine
CID 62984087
2-[3-aminopropyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 115319387
2-[methyl(2-methylbutan-2-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbothioamide
CID 63958272
2-[methyl(2-thiophen-2-ylethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide
CID 79491710
2-[1-hydroxypropan-2-yl(methyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide
CID 104552030
N'-hydroxy-2-[methyl(pentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 76916593
2-(2,2-dimethylhydrazinyl)-5,6,7,8-tetrahydroquinoline-3-carbothioamide
CID 83016628
2-[2-[methyl(propan-2-yl)amino]ethylamino]-5,6,7,8-tetrahydroquinoline-3-carbothioamide
CID 62640457
N'-hydroxy-2-(3-methoxypropylsulfanyl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide
CID 77008681
2-[ethyl(2-methoxyethyl)amino]-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 76916507
2-(2-propoxyethoxy)-5,6,7,8-tetrahydroquinoline-3-carbothioamide
CID 63686758
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide
CID 79376792

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxypropyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbothioamide?
The IUPAC name of 2-[3-methoxypropyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbothioamide (CID 63008638) is 2-[3-methoxypropyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbothioamide.
What is the SMILES notation for 2-[3-methoxypropyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbothioamide?
The canonical SMILES for 2-[3-methoxypropyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbothioamide is COCCCN(C)c1nc2c(cc1C(N)=S)CCCC2.
What is the InChIKey of 2-[3-methoxypropyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbothioamide?
The InChIKey is OVELWHUDVIALNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-18(8-5-9-19-2)15-12(14(16)20)10-11-6-3-4-7-13(11)17-15/h10H,3-9H2,1-2H3,(H2,16,20).
What are the key properties of 2-[3-methoxypropyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbothioamide?
2-[3-methoxypropyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbothioamide has a molecular weight of 293.44 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxypropyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbothioamide is sourced from PubChem (CID 63008638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).