3-[2-methoxyethyl-(3-methylquinolin-2-yl)amino]propanethioamide

C16H21N3OS — CID 63285205

IUPAC3-[2-methoxyethyl-(3-methylquinolin-2-yl)amino]propanethioamide
SMILESCOCCN(CCC(N)=S)c1nc2ccccc2cc1C
InChIInChI=1S/C16H21N3OS/c1-12-11-13-5-3-4-6-14(13)18-16(12)19(9-10-20-2)8-7-15(17)21/h3-6,11H,7-10H2,1-2H3,(H2,17,21)
InChIKeyFYQBYJDQNQNHRV-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.67
Rot. Bonds7

About 3-[2-methoxyethyl-(3-methylquinolin-2-yl)amino]propanethioamide

3-[2-methoxyethyl-(3-methylquinolin-2-yl)amino]propanethioamide (PubChem CID 63285205) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 3-[2-methoxyethyl-(3-methylquinolin-2-yl)amino]propanethioamide.

Molecular Properties

Compound Name3-[2-methoxyethyl-(3-methylquinolin-2-yl)amino]propanethioamide
PubChem CID63285205
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name3-[2-methoxyethyl-(3-methylquinolin-2-yl)amino]propanethioamide
SMILESCOCCN(CCC(N)=S)c1nc2ccccc2cc1C
InChIInChI=1S/C16H21N3OS/c1-12-11-13-5-3-4-6-14(13)18-16(12)19(9-10-20-2)8-7-15(17)21/h3-6,11H,7-10H2,1-2H3,(H2,17,21)
InChIKeyFYQBYJDQNQNHRV-UHFFFAOYSA-N
XLogP2.67
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-aminoethyl)-N'-(3-methylquinolin-2-yl)ethane-1,2-diamine
CID 63229201
3-N,3-N-bis(2-methoxyethyl)quinoxaline-2,3-diamine
CID 102986130
3-[(5-bromo-6-methyl-2-pyridinyl)-(2-methoxyethyl)amino]propanethioamide
CID 114047228
2-[ethyl-(3-methylquinolin-2-yl)amino]ethanol
CID 63228987
N-(2-chloroethyl)-N-ethyl-3-methylquinolin-2-amine
CID 63392539
1-[ethyl-(3-methylquinolin-2-yl)amino]-2-methylpropan-2-ol
CID 79390559
3-[2-methoxyethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanethioamide
CID 55172286
3-[[3-(bromomethyl)quinolin-2-yl]-(2-methoxyethyl)amino]propanenitrile
CID 107083470
3-[2-methoxyethyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanethioamide
CID 63285373
3-(N-(5-bromo-3-methyl-2-pyridinyl)anilino)propanethioamide
CID 79713421
2-(N-(3-amino-3-sulfanylidenepropyl)anilino)-N-(2-methoxyethyl)acetamide
CID 61487413
2-[2-methylpropyl-(3-methylquinolin-2-yl)amino]acetic acid
CID 63229334

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl-(3-methylquinolin-2-yl)amino]propanethioamide?
The IUPAC name of 3-[2-methoxyethyl-(3-methylquinolin-2-yl)amino]propanethioamide (CID 63285205) is 3-[2-methoxyethyl-(3-methylquinolin-2-yl)amino]propanethioamide.
What is the SMILES notation for 3-[2-methoxyethyl-(3-methylquinolin-2-yl)amino]propanethioamide?
The canonical SMILES for 3-[2-methoxyethyl-(3-methylquinolin-2-yl)amino]propanethioamide is COCCN(CCC(N)=S)c1nc2ccccc2cc1C.
What is the InChIKey of 3-[2-methoxyethyl-(3-methylquinolin-2-yl)amino]propanethioamide?
The InChIKey is FYQBYJDQNQNHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-12-11-13-5-3-4-6-14(13)18-16(12)19(9-10-20-2)8-7-15(17)21/h3-6,11H,7-10H2,1-2H3,(H2,17,21).
What are the key properties of 3-[2-methoxyethyl-(3-methylquinolin-2-yl)amino]propanethioamide?
3-[2-methoxyethyl-(3-methylquinolin-2-yl)amino]propanethioamide has a molecular weight of 303.43 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl-(3-methylquinolin-2-yl)amino]propanethioamide is sourced from PubChem (CID 63285205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).