1-[2-(4-amino-3-methoxypiperidin-1-yl)ethyl]-5,7-difluoroquinolin-2-one

C17H21F2N3O2 — CID 77232675

IUPAC1-[2-(4-amino-3-methoxypiperidin-1-yl)ethyl]-5,7-difluoroquinolin-2-one
SMILESCOC1CN(CCn2c(=O)ccc3c(F)cc(F)cc32)CCC1N
InChIInChI=1S/C17H21F2N3O2/c1-24-16-10-21(5-4-14(16)20)6-7-22-15-9-11(18)8-13(19)12(15)2-3-17(22)23/h2-3,8-9,14,16H,4-7,10,20H2,1H3
InChIKeyUKZRFNBPFGOPOP-UHFFFAOYSA-N
MW337.37 g/mol
LogP1.33
Rot. Bonds4

About 1-[2-(4-amino-3-methoxypiperidin-1-yl)ethyl]-5,7-difluoroquinolin-2-one

1-[2-(4-amino-3-methoxypiperidin-1-yl)ethyl]-5,7-difluoroquinolin-2-one (PubChem CID 77232675) has the molecular formula C17H21F2N3O2 and a molecular weight of 337.37 g/mol. Its IUPAC name is 1-[2-(4-amino-3-methoxypiperidin-1-yl)ethyl]-5,7-difluoroquinolin-2-one.

Molecular Properties

Compound Name1-[2-(4-amino-3-methoxypiperidin-1-yl)ethyl]-5,7-difluoroquinolin-2-one
PubChem CID77232675
Molecular FormulaC17H21F2N3O2
Molecular Weight337.37 g/mol
Exact Mass337.16
IUPAC Name1-[2-(4-amino-3-methoxypiperidin-1-yl)ethyl]-5,7-difluoroquinolin-2-one
SMILESCOC1CN(CCn2c(=O)ccc3c(F)cc(F)cc32)CCC1N
InChIInChI=1S/C17H21F2N3O2/c1-24-16-10-21(5-4-14(16)20)6-7-22-15-9-11(18)8-13(19)12(15)2-3-17(22)23/h2-3,8-9,14,16H,4-7,10,20H2,1H3
InChIKeyUKZRFNBPFGOPOP-UHFFFAOYSA-N
XLogP1.33
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-amino-3-methoxypiperidin-1-yl)ethyl]-5,7-difluoroquinolin-2-one?
The IUPAC name of 1-[2-(4-amino-3-methoxypiperidin-1-yl)ethyl]-5,7-difluoroquinolin-2-one (CID 77232675) is 1-[2-(4-amino-3-methoxypiperidin-1-yl)ethyl]-5,7-difluoroquinolin-2-one.
What is the SMILES notation for 1-[2-(4-amino-3-methoxypiperidin-1-yl)ethyl]-5,7-difluoroquinolin-2-one?
The canonical SMILES for 1-[2-(4-amino-3-methoxypiperidin-1-yl)ethyl]-5,7-difluoroquinolin-2-one is COC1CN(CCn2c(=O)ccc3c(F)cc(F)cc32)CCC1N.
What is the InChIKey of 1-[2-(4-amino-3-methoxypiperidin-1-yl)ethyl]-5,7-difluoroquinolin-2-one?
The InChIKey is UKZRFNBPFGOPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N3O2/c1-24-16-10-21(5-4-14(16)20)6-7-22-15-9-11(18)8-13(19)12(15)2-3-17(22)23/h2-3,8-9,14,16H,4-7,10,20H2,1H3.
What are the key properties of 1-[2-(4-amino-3-methoxypiperidin-1-yl)ethyl]-5,7-difluoroquinolin-2-one?
1-[2-(4-amino-3-methoxypiperidin-1-yl)ethyl]-5,7-difluoroquinolin-2-one has a molecular weight of 337.37 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-amino-3-methoxypiperidin-1-yl)ethyl]-5,7-difluoroquinolin-2-one is sourced from PubChem (CID 77232675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).