2-[(6-fluoro-2-methylquinolin-4-yl)amino]propane-1,3-diol

C13H15FN2O2 — CID 133368202

IUPAC2-[(6-fluoro-2-methylquinolin-4-yl)amino]propane-1,3-diol
SMILESCc1cc(NC(CO)CO)c2cc(F)ccc2n1
InChIInChI=1S/C13H15FN2O2/c1-8-4-13(16-10(6-17)7-18)11-5-9(14)2-3-12(11)15-8/h2-5,10,17-18H,6-7H2,1H3,(H,15,16)
InChIKeyHFNRDTOEHRXYAF-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.45
Rot. Bonds4

About 2-[(6-fluoro-2-methylquinolin-4-yl)amino]propane-1,3-diol

2-[(6-fluoro-2-methylquinolin-4-yl)amino]propane-1,3-diol (PubChem CID 133368202) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 2-[(6-fluoro-2-methylquinolin-4-yl)amino]propane-1,3-diol.

Molecular Properties

Compound Name2-[(6-fluoro-2-methylquinolin-4-yl)amino]propane-1,3-diol
PubChem CID133368202
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name2-[(6-fluoro-2-methylquinolin-4-yl)amino]propane-1,3-diol
SMILESCc1cc(NC(CO)CO)c2cc(F)ccc2n1
InChIInChI=1S/C13H15FN2O2/c1-8-4-13(16-10(6-17)7-18)11-5-9(14)2-3-12(11)15-8/h2-5,10,17-18H,6-7H2,1H3,(H,15,16)
InChIKeyHFNRDTOEHRXYAF-UHFFFAOYSA-N
XLogP1.45
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-difluoroethyl)-6-fluoro-2-methylquinolin-4-amine
CID 133368446
6-[(6-fluoro-2-methylquinolin-4-yl)amino]hexan-1-ol
CID 133434438
N-(6-fluoro-2-methylquinolin-4-yl)-2-methylpropanamide
CID 39850982
1-[(6-fluoro-2-methylquinolin-4-yl)amino]pentan-2-ol
CID 133388853
1-cyclopentyl-2-[(6-fluoro-2-methylquinolin-4-yl)amino]ethanol
CID 133394062
1-[(6-fluoro-2-methylquinolin-4-yl)amino]-3-methoxypropan-2-ol
CID 133394039
4-[[(2R)-1-hydroxybutan-2-yl]amino]-2-methylquinoline-7-carboxylic acid
CID 7138077
ethane;6-fluoro-2,4-dimethylquinoline
CID 142222878
6-fluoro-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]quinolin-4-amine
CID 133369297
2-[(2-methyl-6-nitroquinolin-4-yl)amino]propan-1-ol
CID 75520155
4-[(6-fluoro-2-methylquinolin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 122060187
methyl (2S)-2-amino-3-(6-fluoro-2-methylquinolin-4-yl)sulfanylpropanoate
CID 95278246

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-2-methylquinolin-4-yl)amino]propane-1,3-diol?
The IUPAC name of 2-[(6-fluoro-2-methylquinolin-4-yl)amino]propane-1,3-diol (CID 133368202) is 2-[(6-fluoro-2-methylquinolin-4-yl)amino]propane-1,3-diol.
What is the SMILES notation for 2-[(6-fluoro-2-methylquinolin-4-yl)amino]propane-1,3-diol?
The canonical SMILES for 2-[(6-fluoro-2-methylquinolin-4-yl)amino]propane-1,3-diol is Cc1cc(NC(CO)CO)c2cc(F)ccc2n1.
What is the InChIKey of 2-[(6-fluoro-2-methylquinolin-4-yl)amino]propane-1,3-diol?
The InChIKey is HFNRDTOEHRXYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-8-4-13(16-10(6-17)7-18)11-5-9(14)2-3-12(11)15-8/h2-5,10,17-18H,6-7H2,1H3,(H,15,16).
What are the key properties of 2-[(6-fluoro-2-methylquinolin-4-yl)amino]propane-1,3-diol?
2-[(6-fluoro-2-methylquinolin-4-yl)amino]propane-1,3-diol has a molecular weight of 250.27 g/mol, XLogP of 1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-2-methylquinolin-4-yl)amino]propane-1,3-diol is sourced from PubChem (CID 133368202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).