8-[2-(4-aminopiperidin-1-yl)ethyl]-7-fluoro-1-methylquinolin-2-one;hydrochloride

C17H23ClFN3O — CID 68509637

IUPAC8-[2-(4-aminopiperidin-1-yl)ethyl]-7-fluoro-1-methylquinolin-2-one;hydrochloride
SMILESCl.Cn1c(=O)ccc2ccc(F)c(CCN3CCC(N)CC3)c21
InChIInChI=1S/C17H22FN3O.ClH/c1-20-16(22)5-3-12-2-4-15(18)14(17(12)20)8-11-21-9-6-13(19)7-10-21;/h2-5,13H,6-11,19H2,1H3;1H
InChIKeyISPWMHQQSGCMBQ-UHFFFAOYSA-N
MW339.84 g/mol
LogP2.07
Rot. Bonds3

About 8-[2-(4-aminopiperidin-1-yl)ethyl]-7-fluoro-1-methylquinolin-2-one;hydrochloride

8-[2-(4-aminopiperidin-1-yl)ethyl]-7-fluoro-1-methylquinolin-2-one;hydrochloride (PubChem CID 68509637) has the molecular formula C17H23ClFN3O and a molecular weight of 339.84 g/mol. Its IUPAC name is 8-[2-(4-aminopiperidin-1-yl)ethyl]-7-fluoro-1-methylquinolin-2-one;hydrochloride.

Molecular Properties

Compound Name8-[2-(4-aminopiperidin-1-yl)ethyl]-7-fluoro-1-methylquinolin-2-one;hydrochloride
PubChem CID68509637
Molecular FormulaC17H23ClFN3O
Molecular Weight339.84 g/mol
Exact Mass339.15
IUPAC Name8-[2-(4-aminopiperidin-1-yl)ethyl]-7-fluoro-1-methylquinolin-2-one;hydrochloride
SMILESCl.Cn1c(=O)ccc2ccc(F)c(CCN3CCC(N)CC3)c21
InChIInChI=1S/C17H22FN3O.ClH/c1-20-16(22)5-3-12-2-4-15(18)14(17(12)20)8-11-21-9-6-13(19)7-10-21;/h2-5,13H,6-11,19H2,1H3;1H
InChIKeyISPWMHQQSGCMBQ-UHFFFAOYSA-N
XLogP2.07
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.84
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(4-aminopiperidin-1-yl)ethyl]-7-fluoro-1-methylquinolin-2-one;hydrochloride?
The IUPAC name of 8-[2-(4-aminopiperidin-1-yl)ethyl]-7-fluoro-1-methylquinolin-2-one;hydrochloride (CID 68509637) is 8-[2-(4-aminopiperidin-1-yl)ethyl]-7-fluoro-1-methylquinolin-2-one;hydrochloride.
What is the SMILES notation for 8-[2-(4-aminopiperidin-1-yl)ethyl]-7-fluoro-1-methylquinolin-2-one;hydrochloride?
The canonical SMILES for 8-[2-(4-aminopiperidin-1-yl)ethyl]-7-fluoro-1-methylquinolin-2-one;hydrochloride is Cl.Cn1c(=O)ccc2ccc(F)c(CCN3CCC(N)CC3)c21.
What is the InChIKey of 8-[2-(4-aminopiperidin-1-yl)ethyl]-7-fluoro-1-methylquinolin-2-one;hydrochloride?
The InChIKey is ISPWMHQQSGCMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O.ClH/c1-20-16(22)5-3-12-2-4-15(18)14(17(12)20)8-11-21-9-6-13(19)7-10-21;/h2-5,13H,6-11,19H2,1H3;1H.
What are the key properties of 8-[2-(4-aminopiperidin-1-yl)ethyl]-7-fluoro-1-methylquinolin-2-one;hydrochloride?
8-[2-(4-aminopiperidin-1-yl)ethyl]-7-fluoro-1-methylquinolin-2-one;hydrochloride has a molecular weight of 339.84 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(4-aminopiperidin-1-yl)ethyl]-7-fluoro-1-methylquinolin-2-one;hydrochloride is sourced from PubChem (CID 68509637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).