1-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-5,5-dimethylpiperidin-2-one

C17H17ClF2N2O — CID 59631203

IUPAC1-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-5,5-dimethylpiperidin-2-one
SMILESCc1c(N2CC(C)(C)CCC2=O)nc2cc(F)cc(F)c2c1Cl
InChIInChI=1S/C17H17ClF2N2O/c1-9-15(18)14-11(20)6-10(19)7-12(14)21-16(9)22-8-17(2,3)5-4-13(22)23/h6-7H,4-5,8H2,1-3H3
InChIKeyQTAZAVSTJXPZDW-UHFFFAOYSA-N
MW338.79 g/mol
LogP4.63
Rot. Bonds1

About 1-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-5,5-dimethylpiperidin-2-one

1-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-5,5-dimethylpiperidin-2-one (PubChem CID 59631203) has the molecular formula C17H17ClF2N2O and a molecular weight of 338.79 g/mol. Its IUPAC name is 1-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-5,5-dimethylpiperidin-2-one.

Molecular Properties

Compound Name1-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-5,5-dimethylpiperidin-2-one
PubChem CID59631203
Molecular FormulaC17H17ClF2N2O
Molecular Weight338.79 g/mol
Exact Mass338.10
IUPAC Name1-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-5,5-dimethylpiperidin-2-one
SMILESCc1c(N2CC(C)(C)CCC2=O)nc2cc(F)cc(F)c2c1Cl
InChIInChI=1S/C17H17ClF2N2O/c1-9-15(18)14-11(20)6-10(19)7-12(14)21-16(9)22-8-17(2,3)5-4-13(22)23/h6-7H,4-5,8H2,1-3H3
InChIKeyQTAZAVSTJXPZDW-UHFFFAOYSA-N
XLogP4.63
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-5,5-dimethylpiperidin-2-one?
The IUPAC name of 1-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-5,5-dimethylpiperidin-2-one (CID 59631203) is 1-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-5,5-dimethylpiperidin-2-one.
What is the SMILES notation for 1-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-5,5-dimethylpiperidin-2-one?
The canonical SMILES for 1-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-5,5-dimethylpiperidin-2-one is Cc1c(N2CC(C)(C)CCC2=O)nc2cc(F)cc(F)c2c1Cl.
What is the InChIKey of 1-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-5,5-dimethylpiperidin-2-one?
The InChIKey is QTAZAVSTJXPZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF2N2O/c1-9-15(18)14-11(20)6-10(19)7-12(14)21-16(9)22-8-17(2,3)5-4-13(22)23/h6-7H,4-5,8H2,1-3H3.
What are the key properties of 1-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-5,5-dimethylpiperidin-2-one?
1-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-5,5-dimethylpiperidin-2-one has a molecular weight of 338.79 g/mol, XLogP of 4.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-5,5-dimethylpiperidin-2-one is sourced from PubChem (CID 59631203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).