4-N-(1-thiophen-2-ylpropan-2-yl)quinoline-3,4-diamine

C16H17N3S — CID 103963293

IUPAC4-N-(1-thiophen-2-ylpropan-2-yl)quinoline-3,4-diamine
SMILESCC(Cc1cccs1)Nc1c(N)cnc2ccccc12
InChIInChI=1S/C16H17N3S/c1-11(9-12-5-4-8-20-12)19-16-13-6-2-3-7-15(13)18-10-14(16)17/h2-8,10-11H,9,17H2,1H3,(H,18,19)
InChIKeyJIRQCXYAQCUACM-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.92
Rot. Bonds4

About 4-N-(1-thiophen-2-ylpropan-2-yl)quinoline-3,4-diamine

4-N-(1-thiophen-2-ylpropan-2-yl)quinoline-3,4-diamine (PubChem CID 103963293) 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-3,4-diamine.

Molecular Properties

Compound Name4-N-(1-thiophen-2-ylpropan-2-yl)quinoline-3,4-diamine
PubChem CID103963293
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name4-N-(1-thiophen-2-ylpropan-2-yl)quinoline-3,4-diamine
SMILESCC(Cc1cccs1)Nc1c(N)cnc2ccccc12
InChIInChI=1S/C16H17N3S/c1-11(9-12-5-4-8-20-12)19-16-13-6-2-3-7-15(13)18-10-14(16)17/h2-8,10-11H,9,17H2,1H3,(H,18,19)
InChIKeyJIRQCXYAQCUACM-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

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Related Compounds

4-N-[(2R)-1-phenylpropan-2-yl]quinoline-3,4-diamine
CID 155388769
5-bromo-4-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3,4-diamine
CID 103518129
(2S)-2-[(3-aminoquinolin-4-yl)amino]-3-methylbutan-1-ol
CID 114982592
2-methyl-N-(1-thiophen-2-ylpropan-2-yl)quinolin-4-amine
CID 63540902
N-(quinolin-4-ylmethyl)-1-thiophen-2-ylpropan-2-amine
CID 63850551
4-N-(1-thiophen-2-ylpropan-2-yl)quinoline-4,8-diamine
CID 83061047
4-(2-thiophen-2-ylethoxy)quinolin-3-amine
CID 103963705
N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 73254462
[(4R)-4-[(3-aminoquinolin-4-yl)amino]-1-phenylpentan-2-yl]carbamic acid
CID 66620004
4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]quinoline-3,4-diamine
CID 106387738
3-bromo-8-N-(1-thiophen-2-ylpropan-2-yl)quinoline-5,8-diamine
CID 106949355
3-[(3-aminoquinolin-4-yl)amino]pentan-1-ol
CID 113495519

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-thiophen-2-ylpropan-2-yl)quinoline-3,4-diamine?
The IUPAC name of 4-N-(1-thiophen-2-ylpropan-2-yl)quinoline-3,4-diamine (CID 103963293) is 4-N-(1-thiophen-2-ylpropan-2-yl)quinoline-3,4-diamine.
What is the SMILES notation for 4-N-(1-thiophen-2-ylpropan-2-yl)quinoline-3,4-diamine?
The canonical SMILES for 4-N-(1-thiophen-2-ylpropan-2-yl)quinoline-3,4-diamine is CC(Cc1cccs1)Nc1c(N)cnc2ccccc12.
What is the InChIKey of 4-N-(1-thiophen-2-ylpropan-2-yl)quinoline-3,4-diamine?
The InChIKey is JIRQCXYAQCUACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-11(9-12-5-4-8-20-12)19-16-13-6-2-3-7-15(13)18-10-14(16)17/h2-8,10-11H,9,17H2,1H3,(H,18,19).
What are the key properties of 4-N-(1-thiophen-2-ylpropan-2-yl)quinoline-3,4-diamine?
4-N-(1-thiophen-2-ylpropan-2-yl)quinoline-3,4-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-3,4-diamine is sourced from PubChem (CID 103963293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).