4-[cyclopropyl(propyl)amino]quinoline-3-carbothioamide

C16H19N3S — CID 43669639

IUPAC4-[cyclopropyl(propyl)amino]quinoline-3-carbothioamide
SMILESCCCN(c1c(C(N)=S)cnc2ccccc12)C1CC1
InChIInChI=1S/C16H19N3S/c1-2-9-19(11-7-8-11)15-12-5-3-4-6-14(12)18-10-13(15)16(17)20/h3-6,10-11H,2,7-9H2,1H3,(H2,17,20)
InChIKeyWCOZHSCXAZCZLQ-UHFFFAOYSA-N
MW285.42 g/mol
LogP3.25
Rot. Bonds5

About 4-[cyclopropyl(propyl)amino]quinoline-3-carbothioamide

4-[cyclopropyl(propyl)amino]quinoline-3-carbothioamide (PubChem CID 43669639) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is 4-[cyclopropyl(propyl)amino]quinoline-3-carbothioamide.

Molecular Properties

Compound Name4-[cyclopropyl(propyl)amino]quinoline-3-carbothioamide
PubChem CID43669639
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC Name4-[cyclopropyl(propyl)amino]quinoline-3-carbothioamide
SMILESCCCN(c1c(C(N)=S)cnc2ccccc12)C1CC1
InChIInChI=1S/C16H19N3S/c1-2-9-19(11-7-8-11)15-12-5-3-4-6-14(12)18-10-13(15)16(17)20/h3-6,10-11H,2,7-9H2,1H3,(H2,17,20)
InChIKeyWCOZHSCXAZCZLQ-UHFFFAOYSA-N
XLogP3.25
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[butyl(cyclopropyl)amino]quinoline-3-carboximidamide
CID 61441744
4-[butyl(ethyl)amino]quinoline-3-carbothioamide
CID 43669583
4-(dimethylamino)quinoline-3-carbothioamide
CID 43669612
4-[cyclobutylmethyl(methyl)amino]quinoline-3-carbothioamide
CID 62860117
4-[ethyl(propan-2-yl)amino]quinoline-3-carbothioamide
CID 43669634
4-[ethyl(2-methylpropyl)amino]quinoline-3-carbothioamide
CID 43669643
4-[methyl(2-methylbutyl)amino]quinoline-3-carbothioamide
CID 43669646
methyl 2-[(3-carbamothioylquinolin-4-yl)-methylamino]acetate
CID 43669616
4-N-cinnolin-4-yl-4-N-propylcyclohexane-1,4-diamine
CID 79117876
4-[methyl(thiophen-3-ylmethyl)amino]quinoline-3-carbothioamide
CID 43669662
4-[(2-methylpropan-2-yl)oxy]quinoline-3-carbothioamide
CID 43669739
4-[cyclopropyl(propyl)amino]-2,3-difluorobenzenecarbothioamide
CID 114017810

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(propyl)amino]quinoline-3-carbothioamide?
The IUPAC name of 4-[cyclopropyl(propyl)amino]quinoline-3-carbothioamide (CID 43669639) is 4-[cyclopropyl(propyl)amino]quinoline-3-carbothioamide.
What is the SMILES notation for 4-[cyclopropyl(propyl)amino]quinoline-3-carbothioamide?
The canonical SMILES for 4-[cyclopropyl(propyl)amino]quinoline-3-carbothioamide is CCCN(c1c(C(N)=S)cnc2ccccc12)C1CC1.
What is the InChIKey of 4-[cyclopropyl(propyl)amino]quinoline-3-carbothioamide?
The InChIKey is WCOZHSCXAZCZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-2-9-19(11-7-8-11)15-12-5-3-4-6-14(12)18-10-13(15)16(17)20/h3-6,10-11H,2,7-9H2,1H3,(H2,17,20).
What are the key properties of 4-[cyclopropyl(propyl)amino]quinoline-3-carbothioamide?
4-[cyclopropyl(propyl)amino]quinoline-3-carbothioamide has a molecular weight of 285.42 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(propyl)amino]quinoline-3-carbothioamide is sourced from PubChem (CID 43669639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).