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

C15H13ClF2N2O — CID 59631552

IUPAC1-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)piperidin-2-one
SMILESCc1c(N2CCCCC2=O)nc2cc(F)cc(F)c2c1Cl
InChIInChI=1S/C15H13ClF2N2O/c1-8-14(16)13-10(18)6-9(17)7-11(13)19-15(8)20-5-3-2-4-12(20)21/h6-7H,2-5H2,1H3
InChIKeyYBXQPUJMXJUFMT-UHFFFAOYSA-N
MW310.73 g/mol
LogP3.99
Rot. Bonds1

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

1-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)piperidin-2-one (PubChem CID 59631552) has the molecular formula C15H13ClF2N2O and a molecular weight of 310.73 g/mol. Its IUPAC name is 1-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)piperidin-2-one.

Molecular Properties

Compound Name1-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)piperidin-2-one
PubChem CID59631552
Molecular FormulaC15H13ClF2N2O
Molecular Weight310.73 g/mol
Exact Mass310.07
IUPAC Name1-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)piperidin-2-one
SMILESCc1c(N2CCCCC2=O)nc2cc(F)cc(F)c2c1Cl
InChIInChI=1S/C15H13ClF2N2O/c1-8-14(16)13-10(18)6-9(17)7-11(13)19-15(8)20-5-3-2-4-12(20)21/h6-7H,2-5H2,1H3
InChIKeyYBXQPUJMXJUFMT-UHFFFAOYSA-N
XLogP3.99
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.73
LogP ≤ 53.99
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)piperidin-2-one?
The IUPAC name of 1-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)piperidin-2-one (CID 59631552) is 1-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)piperidin-2-one.
What is the SMILES notation for 1-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)piperidin-2-one?
The canonical SMILES for 1-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)piperidin-2-one is Cc1c(N2CCCCC2=O)nc2cc(F)cc(F)c2c1Cl.
What is the InChIKey of 1-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)piperidin-2-one?
The InChIKey is YBXQPUJMXJUFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2N2O/c1-8-14(16)13-10(18)6-9(17)7-11(13)19-15(8)20-5-3-2-4-12(20)21/h6-7H,2-5H2,1H3.
What are the key properties of 1-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)piperidin-2-one?
1-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)piperidin-2-one has a molecular weight of 310.73 g/mol, XLogP of 3.99, 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)piperidin-2-one is sourced from PubChem (CID 59631552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).