1-cyclopropyl-7-(2,6-dimethyl-4-pyridinyl)-6,8-difluoro-2-methylquinolin-4-one

C20H18F2N2O — CID 14969597

IUPAC1-cyclopropyl-7-(2,6-dimethyl-4-pyridinyl)-6,8-difluoro-2-methylquinolin-4-one
SMILESCc1cc(-c2c(F)cc3c(=O)cc(C)n(C4CC4)c3c2F)cc(C)n1
InChIInChI=1S/C20H18F2N2O/c1-10-6-13(7-11(2)23-10)18-16(21)9-15-17(25)8-12(3)24(14-4-5-14)20(15)19(18)22/h6-9,14H,4-5H2,1-3H3
InChIKeyKJHSDGIRRSQGCB-UHFFFAOYSA-N
MW340.37 g/mol
LogP4.60
Rot. Bonds2

About 1-cyclopropyl-7-(2,6-dimethyl-4-pyridinyl)-6,8-difluoro-2-methylquinolin-4-one

1-cyclopropyl-7-(2,6-dimethyl-4-pyridinyl)-6,8-difluoro-2-methylquinolin-4-one (PubChem CID 14969597) has the molecular formula C20H18F2N2O and a molecular weight of 340.37 g/mol. Its IUPAC name is 1-cyclopropyl-7-(2,6-dimethyl-4-pyridinyl)-6,8-difluoro-2-methylquinolin-4-one.

Molecular Properties

Compound Name1-cyclopropyl-7-(2,6-dimethyl-4-pyridinyl)-6,8-difluoro-2-methylquinolin-4-one
PubChem CID14969597
Molecular FormulaC20H18F2N2O
Molecular Weight340.37 g/mol
Exact Mass340.14
IUPAC Name1-cyclopropyl-7-(2,6-dimethyl-4-pyridinyl)-6,8-difluoro-2-methylquinolin-4-one
SMILESCc1cc(-c2c(F)cc3c(=O)cc(C)n(C4CC4)c3c2F)cc(C)n1
InChIInChI=1S/C20H18F2N2O/c1-10-6-13(7-11(2)23-10)18-16(21)9-15-17(25)8-12(3)24(14-4-5-14)20(15)19(18)22/h6-9,14H,4-5H2,1-3H3
InChIKeyKJHSDGIRRSQGCB-UHFFFAOYSA-N
XLogP4.60
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-7-(2,6-dimethyl-4-pyridinyl)-6,8-difluoro-2-methylquinolin-4-one?
The IUPAC name of 1-cyclopropyl-7-(2,6-dimethyl-4-pyridinyl)-6,8-difluoro-2-methylquinolin-4-one (CID 14969597) is 1-cyclopropyl-7-(2,6-dimethyl-4-pyridinyl)-6,8-difluoro-2-methylquinolin-4-one.
What is the SMILES notation for 1-cyclopropyl-7-(2,6-dimethyl-4-pyridinyl)-6,8-difluoro-2-methylquinolin-4-one?
The canonical SMILES for 1-cyclopropyl-7-(2,6-dimethyl-4-pyridinyl)-6,8-difluoro-2-methylquinolin-4-one is Cc1cc(-c2c(F)cc3c(=O)cc(C)n(C4CC4)c3c2F)cc(C)n1.
What is the InChIKey of 1-cyclopropyl-7-(2,6-dimethyl-4-pyridinyl)-6,8-difluoro-2-methylquinolin-4-one?
The InChIKey is KJHSDGIRRSQGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O/c1-10-6-13(7-11(2)23-10)18-16(21)9-15-17(25)8-12(3)24(14-4-5-14)20(15)19(18)22/h6-9,14H,4-5H2,1-3H3.
What are the key properties of 1-cyclopropyl-7-(2,6-dimethyl-4-pyridinyl)-6,8-difluoro-2-methylquinolin-4-one?
1-cyclopropyl-7-(2,6-dimethyl-4-pyridinyl)-6,8-difluoro-2-methylquinolin-4-one has a molecular weight of 340.37 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-7-(2,6-dimethyl-4-pyridinyl)-6,8-difluoro-2-methylquinolin-4-one is sourced from PubChem (CID 14969597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).