2-methyl-N-(1-thiophen-2-ylpropan-2-yl)quinolin-4-amine

C17H18N2S — CID 63540902

IUPAC2-methyl-N-(1-thiophen-2-ylpropan-2-yl)quinolin-4-amine
SMILESCc1cc(NC(C)Cc2cccs2)c2ccccc2n1
InChIInChI=1S/C17H18N2S/c1-12(10-14-6-5-9-20-14)19-17-11-13(2)18-16-8-4-3-7-15(16)17/h3-9,11-12H,10H2,1-2H3,(H,18,19)
InChIKeyUGPVRUSBSAVKMU-UHFFFAOYSA-N
MW282.41 g/mol
LogP4.65
Rot. Bonds4

About 2-methyl-N-(1-thiophen-2-ylpropan-2-yl)quinolin-4-amine

2-methyl-N-(1-thiophen-2-ylpropan-2-yl)quinolin-4-amine (PubChem CID 63540902) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-methyl-N-(1-thiophen-2-ylpropan-2-yl)quinolin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(1-thiophen-2-ylpropan-2-yl)quinolin-4-amine
PubChem CID63540902
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC Name2-methyl-N-(1-thiophen-2-ylpropan-2-yl)quinolin-4-amine
SMILESCc1cc(NC(C)Cc2cccs2)c2ccccc2n1
InChIInChI=1S/C17H18N2S/c1-12(10-14-6-5-9-20-14)19-17-11-13(2)18-16-8-4-3-7-15(16)17/h3-9,11-12H,10H2,1-2H3,(H,18,19)
InChIKeyUGPVRUSBSAVKMU-UHFFFAOYSA-N
XLogP4.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethyl-4-(1-thiophen-2-ylpropan-2-ylamino)pyridine-3-carboxylic acid
CID 81053770
2-methyl-N-(5-methylhexan-2-yl)quinolin-4-amine
CID 63926717
N-[4-(furan-2-yl)butan-2-yl]-2-methylquinolin-4-amine
CID 60716310
2-[(2-methylquinolin-4-yl)amino]-2-thiophen-2-ylacetic acid
CID 115284526
(1R)-N,N-dimethyl-N'-(2-methylquinolin-4-yl)-1-thiophen-2-ylethane-1,2-diamine
CID 97068033
7-chloro-N-(1-thiophen-2-ylpropan-2-yl)quinolin-4-amine
CID 63541053
N-(4-chloro-3-methylbutan-2-yl)-2-methylquinolin-4-amine
CID 113484976
4-N-(1-thiophen-2-ylpropan-2-yl)quinoline-3,4-diamine
CID 103963293
1-N,1-N-diethyl-4-N-(2-methylquinolin-4-yl)pentane-1,4-diamine
CID 112810281
2-[(2-methylquinolin-4-yl)amino]propanoic acid
CID 43525417
2-methyl-N-[1-(4-methylphenyl)ethyl]quinolin-4-amine
CID 63541977
4-methyl-1-propan-2-yl-N-(1-thiophen-2-ylpropan-2-yl)imidazol-2-amine
CID 106573480

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-thiophen-2-ylpropan-2-yl)quinolin-4-amine?
The IUPAC name of 2-methyl-N-(1-thiophen-2-ylpropan-2-yl)quinolin-4-amine (CID 63540902) is 2-methyl-N-(1-thiophen-2-ylpropan-2-yl)quinolin-4-amine.
What is the SMILES notation for 2-methyl-N-(1-thiophen-2-ylpropan-2-yl)quinolin-4-amine?
The canonical SMILES for 2-methyl-N-(1-thiophen-2-ylpropan-2-yl)quinolin-4-amine is Cc1cc(NC(C)Cc2cccs2)c2ccccc2n1.
What is the InChIKey of 2-methyl-N-(1-thiophen-2-ylpropan-2-yl)quinolin-4-amine?
The InChIKey is UGPVRUSBSAVKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S/c1-12(10-14-6-5-9-20-14)19-17-11-13(2)18-16-8-4-3-7-15(16)17/h3-9,11-12H,10H2,1-2H3,(H,18,19).
What are the key properties of 2-methyl-N-(1-thiophen-2-ylpropan-2-yl)quinolin-4-amine?
2-methyl-N-(1-thiophen-2-ylpropan-2-yl)quinolin-4-amine has a molecular weight of 282.41 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-thiophen-2-ylpropan-2-yl)quinolin-4-amine is sourced from PubChem (CID 63540902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).