1-[2-[(6-fluoro-2-methylquinolin-4-yl)amino]ethyl]piperidin-2-one

C17H20FN3O — CID 131940721

IUPAC1-[2-[(6-fluoro-2-methylquinolin-4-yl)amino]ethyl]piperidin-2-one
SMILESCc1cc(NCCN2CCCCC2=O)c2cc(F)ccc2n1
InChIInChI=1S/C17H20FN3O/c1-12-10-16(14-11-13(18)5-6-15(14)20-12)19-7-9-21-8-3-2-4-17(21)22/h5-6,10-11H,2-4,7-9H2,1H3,(H,19,20)
InChIKeyMNLVAUNOTKNOMC-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.11
Rot. Bonds4

About 1-[2-[(6-fluoro-2-methylquinolin-4-yl)amino]ethyl]piperidin-2-one

1-[2-[(6-fluoro-2-methylquinolin-4-yl)amino]ethyl]piperidin-2-one (PubChem CID 131940721) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is 1-[2-[(6-fluoro-2-methylquinolin-4-yl)amino]ethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-[(6-fluoro-2-methylquinolin-4-yl)amino]ethyl]piperidin-2-one
PubChem CID131940721
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC Name1-[2-[(6-fluoro-2-methylquinolin-4-yl)amino]ethyl]piperidin-2-one
SMILESCc1cc(NCCN2CCCCC2=O)c2cc(F)ccc2n1
InChIInChI=1S/C17H20FN3O/c1-12-10-16(14-11-13(18)5-6-15(14)20-12)19-7-9-21-8-3-2-4-17(21)22/h5-6,10-11H,2-4,7-9H2,1H3,(H,19,20)
InChIKeyMNLVAUNOTKNOMC-UHFFFAOYSA-N
XLogP3.11
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-[(6-fluoro-2-methylquinolin-4-yl)amino]ethyl]piperidin-2-one with MolForge

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Related Compounds

6-fluoro-2-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)quinolin-4-amine
CID 133382976
1-[2-[(6-chloro-4-methylquinolin-2-yl)amino]ethyl]piperidin-2-one
CID 131907640
6-[(6-fluoro-2-methylquinolin-4-yl)amino]hexan-1-ol
CID 133434438
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
6-fluoro-2-methyl-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
CID 42750288
1-[2-[(3,6-dimethylpyrazin-2-yl)amino]ethyl]piperidin-2-one
CID 131894861
2-methyl-N-propyl-6-pyrrolidin-1-ylquinolin-4-amine
CID 63180985
5-[(4-fluorophenyl)methyl]-3-[2-(2-oxopyrrolidin-1-yl)ethylamino]pyridine-2-carboxylic acid
CID 141129415
6-fluoro-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]quinolin-4-amine
CID 133369297
2,6-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide
CID 30482177
3,9-dimethyl-1-N,7-N-bis(2-piperidin-1-ylethyl)quinolino[8,7-h]quinoline-1,7-diamine;hydrochloride
CID 54583090

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(6-fluoro-2-methylquinolin-4-yl)amino]ethyl]piperidin-2-one?
The IUPAC name of 1-[2-[(6-fluoro-2-methylquinolin-4-yl)amino]ethyl]piperidin-2-one (CID 131940721) is 1-[2-[(6-fluoro-2-methylquinolin-4-yl)amino]ethyl]piperidin-2-one.
What is the SMILES notation for 1-[2-[(6-fluoro-2-methylquinolin-4-yl)amino]ethyl]piperidin-2-one?
The canonical SMILES for 1-[2-[(6-fluoro-2-methylquinolin-4-yl)amino]ethyl]piperidin-2-one is Cc1cc(NCCN2CCCCC2=O)c2cc(F)ccc2n1.
What is the InChIKey of 1-[2-[(6-fluoro-2-methylquinolin-4-yl)amino]ethyl]piperidin-2-one?
The InChIKey is MNLVAUNOTKNOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-12-10-16(14-11-13(18)5-6-15(14)20-12)19-7-9-21-8-3-2-4-17(21)22/h5-6,10-11H,2-4,7-9H2,1H3,(H,19,20).
What are the key properties of 1-[2-[(6-fluoro-2-methylquinolin-4-yl)amino]ethyl]piperidin-2-one?
1-[2-[(6-fluoro-2-methylquinolin-4-yl)amino]ethyl]piperidin-2-one has a molecular weight of 301.37 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(6-fluoro-2-methylquinolin-4-yl)amino]ethyl]piperidin-2-one is sourced from PubChem (CID 131940721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).