1-[(8-fluoro-2-methylquinolin-4-yl)amino]-2-thiophen-2-ylpropan-2-ol

C17H17FN2OS — CID 133394254

IUPAC1-[(8-fluoro-2-methylquinolin-4-yl)amino]-2-thiophen-2-ylpropan-2-ol
SMILESCc1cc(NCC(C)(O)c2cccs2)c2cccc(F)c2n1
InChIInChI=1S/C17H17FN2OS/c1-11-9-14(12-5-3-6-13(18)16(12)20-11)19-10-17(2,21)15-7-4-8-22-15/h3-9,21H,10H2,1-2H3,(H,19,20)
InChIKeyFCZVPDFEBGIUOY-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.06
Rot. Bonds4

About 1-[(8-fluoro-2-methylquinolin-4-yl)amino]-2-thiophen-2-ylpropan-2-ol

1-[(8-fluoro-2-methylquinolin-4-yl)amino]-2-thiophen-2-ylpropan-2-ol (PubChem CID 133394254) has the molecular formula C17H17FN2OS and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-[(8-fluoro-2-methylquinolin-4-yl)amino]-2-thiophen-2-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(8-fluoro-2-methylquinolin-4-yl)amino]-2-thiophen-2-ylpropan-2-ol
PubChem CID133394254
Molecular FormulaC17H17FN2OS
Molecular Weight316.40 g/mol
Exact Mass316.10
IUPAC Name1-[(8-fluoro-2-methylquinolin-4-yl)amino]-2-thiophen-2-ylpropan-2-ol
SMILESCc1cc(NCC(C)(O)c2cccs2)c2cccc(F)c2n1
InChIInChI=1S/C17H17FN2OS/c1-11-9-14(12-5-3-6-13(18)16(12)20-11)19-10-17(2,21)15-7-4-8-22-15/h3-9,21H,10H2,1-2H3,(H,19,20)
InChIKeyFCZVPDFEBGIUOY-UHFFFAOYSA-N
XLogP4.06
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(8-fluoro-2-methylquinolin-4-yl)amino]-2-thiophen-2-ylpropan-2-ol with MolForge

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Related Compounds

3-[(8-fluoro-2-methylquinolin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 122060920
8-fluoro-N-(2-methoxy-2-methylpropyl)-2-methylquinolin-4-amine
CID 133368255
6-[(8-fluoro-2-methylquinolin-4-yl)amino]hexan-1-ol
CID 133434482
8-fluoro-2-methyl-N-[4-(1,2,4-triazol-4-yl)butyl]quinolin-4-amine
CID 133368296
3-[[(8-fluoro-2-methylquinolin-4-yl)amino]methyl]pentan-1-ol
CID 133368901
1-[(8-fluoro-2-methylquinolin-4-yl)amino]-3-methoxypropan-2-ol
CID 133394041
2,6-difluoro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]benzamide
CID 95983276
(8-fluoro-2-methylquinolin-4-yl)methanethiol
CID 82448814
2,3-difluoro-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide
CID 111441795
8-fluoro-2-methyl-N-(1-pyridin-4-ylpropyl)quinolin-4-amine
CID 133394408
N-but-3-en-2-yl-8-fluoro-2-methylquinolin-4-amine
CID 133369006
1-[(2-fluoro-5-methylphenyl)methylamino]-2-thiophen-2-ylpropan-2-ol
CID 111440507

Frequently Asked Questions

What is the IUPAC name of 1-[(8-fluoro-2-methylquinolin-4-yl)amino]-2-thiophen-2-ylpropan-2-ol?
The IUPAC name of 1-[(8-fluoro-2-methylquinolin-4-yl)amino]-2-thiophen-2-ylpropan-2-ol (CID 133394254) is 1-[(8-fluoro-2-methylquinolin-4-yl)amino]-2-thiophen-2-ylpropan-2-ol.
What is the SMILES notation for 1-[(8-fluoro-2-methylquinolin-4-yl)amino]-2-thiophen-2-ylpropan-2-ol?
The canonical SMILES for 1-[(8-fluoro-2-methylquinolin-4-yl)amino]-2-thiophen-2-ylpropan-2-ol is Cc1cc(NCC(C)(O)c2cccs2)c2cccc(F)c2n1.
What is the InChIKey of 1-[(8-fluoro-2-methylquinolin-4-yl)amino]-2-thiophen-2-ylpropan-2-ol?
The InChIKey is FCZVPDFEBGIUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2OS/c1-11-9-14(12-5-3-6-13(18)16(12)20-11)19-10-17(2,21)15-7-4-8-22-15/h3-9,21H,10H2,1-2H3,(H,19,20).
What are the key properties of 1-[(8-fluoro-2-methylquinolin-4-yl)amino]-2-thiophen-2-ylpropan-2-ol?
1-[(8-fluoro-2-methylquinolin-4-yl)amino]-2-thiophen-2-ylpropan-2-ol has a molecular weight of 316.40 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(8-fluoro-2-methylquinolin-4-yl)amino]-2-thiophen-2-ylpropan-2-ol is sourced from PubChem (CID 133394254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).