4-[3-(dimethylamino)propoxy]quinoline-3-carbothioamide

C15H19N3OS — CID 61104811

IUPAC4-[3-(dimethylamino)propoxy]quinoline-3-carbothioamide
SMILESCN(C)CCCOc1c(C(N)=S)cnc2ccccc12
InChIInChI=1S/C15H19N3OS/c1-18(2)8-5-9-19-14-11-6-3-4-7-13(11)17-10-12(14)15(16)20/h3-4,6-7,10H,5,8-9H2,1-2H3,(H2,16,20)
InChIKeyDWYIYVXDJOWMKC-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.20
Rot. Bonds6

About 4-[3-(dimethylamino)propoxy]quinoline-3-carbothioamide

4-[3-(dimethylamino)propoxy]quinoline-3-carbothioamide (PubChem CID 61104811) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propoxy]quinoline-3-carbothioamide.

Molecular Properties

Compound Name4-[3-(dimethylamino)propoxy]quinoline-3-carbothioamide
PubChem CID61104811
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name4-[3-(dimethylamino)propoxy]quinoline-3-carbothioamide
SMILESCN(C)CCCOc1c(C(N)=S)cnc2ccccc12
InChIInChI=1S/C15H19N3OS/c1-18(2)8-5-9-19-14-11-6-3-4-7-13(11)17-10-12(14)15(16)20/h3-4,6-7,10H,5,8-9H2,1-2H3,(H2,16,20)
InChIKeyDWYIYVXDJOWMKC-UHFFFAOYSA-N
XLogP2.20
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.20
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

4-[3-(dimethylamino)propoxy]quinolin-3-amine
CID 103963698
4-[(2-methylpropan-2-yl)oxy]quinoline-3-carbothioamide
CID 43669739
4-(dimethylamino)quinoline-3-carbothioamide
CID 43669612
4-[butyl(ethyl)amino]quinoline-3-carbothioamide
CID 43669583
methyl 2-[(3-carbamothioylquinolin-4-yl)-methylamino]acetate
CID 43669616
N'-hydroxy-4-(3-hydroxypropoxy)quinoline-3-carboximidamide
CID 43669918
4-[2-(diethylamino)ethoxy]quinoline-3-carboximidamide
CID 61104595
4-[3-(dimethylamino)propyl-methylamino]quinoline-3-carboximidamide
CID 63694201
4-hexoxy-N'-hydroxyquinoline-3-carboximidamide
CID 43669911
4-butoxyquinoline-3-carboxylic acid
CID 61339357
4-[ethyl(propan-2-yl)amino]quinoline-3-carbothioamide
CID 43669634
4-[ethyl(2-methylpropyl)amino]quinoline-3-carbothioamide
CID 43669643

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propoxy]quinoline-3-carbothioamide?
The IUPAC name of 4-[3-(dimethylamino)propoxy]quinoline-3-carbothioamide (CID 61104811) is 4-[3-(dimethylamino)propoxy]quinoline-3-carbothioamide.
What is the SMILES notation for 4-[3-(dimethylamino)propoxy]quinoline-3-carbothioamide?
The canonical SMILES for 4-[3-(dimethylamino)propoxy]quinoline-3-carbothioamide is CN(C)CCCOc1c(C(N)=S)cnc2ccccc12.
What is the InChIKey of 4-[3-(dimethylamino)propoxy]quinoline-3-carbothioamide?
The InChIKey is DWYIYVXDJOWMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-18(2)8-5-9-19-14-11-6-3-4-7-13(11)17-10-12(14)15(16)20/h3-4,6-7,10H,5,8-9H2,1-2H3,(H2,16,20).
What are the key properties of 4-[3-(dimethylamino)propoxy]quinoline-3-carbothioamide?
4-[3-(dimethylamino)propoxy]quinoline-3-carbothioamide has a molecular weight of 289.40 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propoxy]quinoline-3-carbothioamide is sourced from PubChem (CID 61104811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).