4-N-(1-thiophen-2-ylpropan-2-yl)quinoline-4,8-diamine

C16H17N3S — CID 83061047

IUPAC4-N-(1-thiophen-2-ylpropan-2-yl)quinoline-4,8-diamine
SMILESCC(Cc1cccs1)Nc1ccnc2c(N)cccc12
InChIInChI=1S/C16H17N3S/c1-11(10-12-4-3-9-20-12)19-15-7-8-18-16-13(15)5-2-6-14(16)17/h2-9,11H,10,17H2,1H3,(H,18,19)
InChIKeyQSCNMNVEPQEVKK-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.92
Rot. Bonds4

About 4-N-(1-thiophen-2-ylpropan-2-yl)quinoline-4,8-diamine

4-N-(1-thiophen-2-ylpropan-2-yl)quinoline-4,8-diamine (PubChem CID 83061047) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 4-N-(1-thiophen-2-ylpropan-2-yl)quinoline-4,8-diamine.

Molecular Properties

Compound Name4-N-(1-thiophen-2-ylpropan-2-yl)quinoline-4,8-diamine
PubChem CID83061047
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name4-N-(1-thiophen-2-ylpropan-2-yl)quinoline-4,8-diamine
SMILESCC(Cc1cccs1)Nc1ccnc2c(N)cccc12
InChIInChI=1S/C16H17N3S/c1-11(10-12-4-3-9-20-12)19-15-7-8-18-16-13(15)5-2-6-14(16)17/h2-9,11H,10,17H2,1H3,(H,18,19)
InChIKeyQSCNMNVEPQEVKK-UHFFFAOYSA-N
XLogP3.92
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-N-(1-thiophen-2-ylpropan-2-yl)quinoline-4,8-diamine with MolForge

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Launch Full Analysis

Related Compounds

4-N-(1-phenylpropan-2-yl)quinoline-4,8-diamine
CID 83066033
4-N-heptan-2-ylquinoline-4,8-diamine
CID 83060293
7-chloro-N-(1-thiophen-2-ylpropan-2-yl)quinolin-4-amine
CID 63541053
3-bromo-8-N-(1-thiophen-2-ylpropan-2-yl)quinoline-5,8-diamine
CID 106949355
4-N-(1-thiophen-2-ylpropan-2-yl)quinoline-3,4-diamine
CID 103963293
4-N-[1-(dimethylamino)-4-methylpentan-2-yl]quinoline-4,8-diamine
CID 83065833
5-N-[1-(dimethylamino)propan-2-yl]quinoline-5,8-diamine
CID 82945198
N-(1-thiophen-2-ylpropan-2-yl)pyridin-4-amine
CID 63292001
4-N-[1-(5-chlorothiophen-2-yl)ethyl]quinoline-4,8-diamine
CID 83060731
4-N-(2,3,3-trimethylbutyl)quinoline-4,8-diamine
CID 83143113
2-[4-[(8-aminoquinolin-4-yl)amino]pentyl-ethylamino]ethanol
CID 20650144
2-methyl-N-(1-thiophen-2-ylpropan-2-yl)quinolin-4-amine
CID 63540902

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-thiophen-2-ylpropan-2-yl)quinoline-4,8-diamine?
The IUPAC name of 4-N-(1-thiophen-2-ylpropan-2-yl)quinoline-4,8-diamine (CID 83061047) is 4-N-(1-thiophen-2-ylpropan-2-yl)quinoline-4,8-diamine.
What is the SMILES notation for 4-N-(1-thiophen-2-ylpropan-2-yl)quinoline-4,8-diamine?
The canonical SMILES for 4-N-(1-thiophen-2-ylpropan-2-yl)quinoline-4,8-diamine is CC(Cc1cccs1)Nc1ccnc2c(N)cccc12.
What is the InChIKey of 4-N-(1-thiophen-2-ylpropan-2-yl)quinoline-4,8-diamine?
The InChIKey is QSCNMNVEPQEVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-11(10-12-4-3-9-20-12)19-15-7-8-18-16-13(15)5-2-6-14(16)17/h2-9,11H,10,17H2,1H3,(H,18,19).
What are the key properties of 4-N-(1-thiophen-2-ylpropan-2-yl)quinoline-4,8-diamine?
4-N-(1-thiophen-2-ylpropan-2-yl)quinoline-4,8-diamine has a molecular weight of 283.40 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-thiophen-2-ylpropan-2-yl)quinoline-4,8-diamine is sourced from PubChem (CID 83061047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).