1-[(6-fluoro-2-methylquinolin-4-yl)amino]pentan-2-ol

C15H19FN2O — CID 133388853

IUPAC1-[(6-fluoro-2-methylquinolin-4-yl)amino]pentan-2-ol
SMILESCCCC(O)CNc1cc(C)nc2ccc(F)cc12
InChIInChI=1S/C15H19FN2O/c1-3-4-12(19)9-17-15-7-10(2)18-14-6-5-11(16)8-13(14)15/h5-8,12,19H,3-4,9H2,1-2H3,(H,17,18)
InChIKeyYDYJCXBRGBUMRJ-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.26
Rot. Bonds5

About 1-[(6-fluoro-2-methylquinolin-4-yl)amino]pentan-2-ol

1-[(6-fluoro-2-methylquinolin-4-yl)amino]pentan-2-ol (PubChem CID 133388853) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 1-[(6-fluoro-2-methylquinolin-4-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name1-[(6-fluoro-2-methylquinolin-4-yl)amino]pentan-2-ol
PubChem CID133388853
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name1-[(6-fluoro-2-methylquinolin-4-yl)amino]pentan-2-ol
SMILESCCCC(O)CNc1cc(C)nc2ccc(F)cc12
InChIInChI=1S/C15H19FN2O/c1-3-4-12(19)9-17-15-7-10(2)18-14-6-5-11(16)8-13(14)15/h5-8,12,19H,3-4,9H2,1-2H3,(H,17,18)
InChIKeyYDYJCXBRGBUMRJ-UHFFFAOYSA-N
XLogP3.26
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(6-fluoro-2-methylquinolin-4-yl)amino]-3-methoxypropan-2-ol
CID 133394039
N-(2,2-difluoroethyl)-6-fluoro-2-methylquinolin-4-amine
CID 133368446
1-cyclopentyl-2-[(6-fluoro-2-methylquinolin-4-yl)amino]ethanol
CID 133394062
2-[(6-fluoro-2-methylquinolin-4-yl)amino]propane-1,3-diol
CID 133368202
6-[(6-fluoro-2-methylquinolin-4-yl)amino]hexan-1-ol
CID 133434438
N-(6-fluoro-2-methylquinolin-4-yl)-2-methylpropanamide
CID 39850982
6-fluoro-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]quinolin-4-amine
CID 133369297
4-N-(2,2-difluoroethyl)-2-methylquinoline-4,6-diamine
CID 113383859
4-fluoro-3-[[(6-fluoro-2-methylquinolin-4-yl)amino]methyl]benzonitrile
CID 133368259
6-fluoro-N-(2-hydroxypropyl)-2-methylquinoline-4-carboxamide
CID 110489253
N-ethyl-2,6-dimethylquinolin-4-amine
CID 62201642
6-fluoro-2-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]quinolin-4-amine
CID 133368696

Frequently Asked Questions

What is the IUPAC name of 1-[(6-fluoro-2-methylquinolin-4-yl)amino]pentan-2-ol?
The IUPAC name of 1-[(6-fluoro-2-methylquinolin-4-yl)amino]pentan-2-ol (CID 133388853) is 1-[(6-fluoro-2-methylquinolin-4-yl)amino]pentan-2-ol.
What is the SMILES notation for 1-[(6-fluoro-2-methylquinolin-4-yl)amino]pentan-2-ol?
The canonical SMILES for 1-[(6-fluoro-2-methylquinolin-4-yl)amino]pentan-2-ol is CCCC(O)CNc1cc(C)nc2ccc(F)cc12.
What is the InChIKey of 1-[(6-fluoro-2-methylquinolin-4-yl)amino]pentan-2-ol?
The InChIKey is YDYJCXBRGBUMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-3-4-12(19)9-17-15-7-10(2)18-14-6-5-11(16)8-13(14)15/h5-8,12,19H,3-4,9H2,1-2H3,(H,17,18).
What are the key properties of 1-[(6-fluoro-2-methylquinolin-4-yl)amino]pentan-2-ol?
1-[(6-fluoro-2-methylquinolin-4-yl)amino]pentan-2-ol has a molecular weight of 262.33 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-fluoro-2-methylquinolin-4-yl)amino]pentan-2-ol is sourced from PubChem (CID 133388853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).