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

C15H14ClF2N3O — CID 59631317

IUPAC1-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-4-methylpiperazin-2-one
SMILESCc1c(N2CCN(C)CC2=O)nc2cc(F)cc(F)c2c1Cl
InChIInChI=1S/C15H14ClF2N3O/c1-8-14(16)13-10(18)5-9(17)6-11(13)19-15(8)21-4-3-20(2)7-12(21)22/h5-6H,3-4,7H2,1-2H3
InChIKeyFYEUTLISFQFYJU-UHFFFAOYSA-N
MW325.75 g/mol
LogP2.75
Rot. Bonds1

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

1-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-4-methylpiperazin-2-one (PubChem CID 59631317) has the molecular formula C15H14ClF2N3O and a molecular weight of 325.75 g/mol. Its IUPAC name is 1-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-4-methylpiperazin-2-one.

Molecular Properties

Compound Name1-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-4-methylpiperazin-2-one
PubChem CID59631317
Molecular FormulaC15H14ClF2N3O
Molecular Weight325.75 g/mol
Exact Mass325.08
IUPAC Name1-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-4-methylpiperazin-2-one
SMILESCc1c(N2CCN(C)CC2=O)nc2cc(F)cc(F)c2c1Cl
InChIInChI=1S/C15H14ClF2N3O/c1-8-14(16)13-10(18)5-9(17)6-11(13)19-15(8)21-4-3-20(2)7-12(21)22/h5-6H,3-4,7H2,1-2H3
InChIKeyFYEUTLISFQFYJU-UHFFFAOYSA-N
XLogP2.75
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.75
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-4-methylpiperazin-2-one?
The IUPAC name of 1-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-4-methylpiperazin-2-one (CID 59631317) is 1-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-4-methylpiperazin-2-one.
What is the SMILES notation for 1-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-4-methylpiperazin-2-one?
The canonical SMILES for 1-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-4-methylpiperazin-2-one is Cc1c(N2CCN(C)CC2=O)nc2cc(F)cc(F)c2c1Cl.
What is the InChIKey of 1-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-4-methylpiperazin-2-one?
The InChIKey is FYEUTLISFQFYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2N3O/c1-8-14(16)13-10(18)5-9(17)6-11(13)19-15(8)21-4-3-20(2)7-12(21)22/h5-6H,3-4,7H2,1-2H3.
What are the key properties of 1-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-4-methylpiperazin-2-one?
1-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-4-methylpiperazin-2-one has a molecular weight of 325.75 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-4-methylpiperazin-2-one is sourced from PubChem (CID 59631317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).