5,7-difluoro-3-methyl-2-(4-piperidin-1-ylphenyl)-1H-quinolin-4-one

C21H20F2N2O — CID 129259171

IUPAC5,7-difluoro-3-methyl-2-(4-piperidin-1-ylphenyl)-1H-quinolin-4-one
SMILESCc1c(-c2ccc(N3CCCCC3)cc2)[nH]c2cc(F)cc(F)c2c1=O
InChIInChI=1S/C21H20F2N2O/c1-13-20(24-18-12-15(22)11-17(23)19(18)21(13)26)14-5-7-16(8-6-14)25-9-3-2-4-10-25/h5-8,11-12H,2-4,9-10H2,1H3,(H,24,26)
InChIKeyKIPFHXAYZIYZFA-UHFFFAOYSA-N
MW354.40 g/mol
LogP4.77
Rot. Bonds2

About 5,7-difluoro-3-methyl-2-(4-piperidin-1-ylphenyl)-1H-quinolin-4-one

5,7-difluoro-3-methyl-2-(4-piperidin-1-ylphenyl)-1H-quinolin-4-one (PubChem CID 129259171) has the molecular formula C21H20F2N2O and a molecular weight of 354.40 g/mol. Its IUPAC name is 5,7-difluoro-3-methyl-2-(4-piperidin-1-ylphenyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name5,7-difluoro-3-methyl-2-(4-piperidin-1-ylphenyl)-1H-quinolin-4-one
PubChem CID129259171
Molecular FormulaC21H20F2N2O
Molecular Weight354.40 g/mol
Exact Mass354.15
IUPAC Name5,7-difluoro-3-methyl-2-(4-piperidin-1-ylphenyl)-1H-quinolin-4-one
SMILESCc1c(-c2ccc(N3CCCCC3)cc2)[nH]c2cc(F)cc(F)c2c1=O
InChIInChI=1S/C21H20F2N2O/c1-13-20(24-18-12-15(22)11-17(23)19(18)21(13)26)14-5-7-16(8-6-14)25-9-3-2-4-10-25/h5-8,11-12H,2-4,9-10H2,1H3,(H,24,26)
InChIKeyKIPFHXAYZIYZFA-UHFFFAOYSA-N
XLogP4.77
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-3-methyl-2-(4-piperidin-1-ylphenyl)-1H-quinolin-4-one?
The IUPAC name of 5,7-difluoro-3-methyl-2-(4-piperidin-1-ylphenyl)-1H-quinolin-4-one (CID 129259171) is 5,7-difluoro-3-methyl-2-(4-piperidin-1-ylphenyl)-1H-quinolin-4-one.
What is the SMILES notation for 5,7-difluoro-3-methyl-2-(4-piperidin-1-ylphenyl)-1H-quinolin-4-one?
The canonical SMILES for 5,7-difluoro-3-methyl-2-(4-piperidin-1-ylphenyl)-1H-quinolin-4-one is Cc1c(-c2ccc(N3CCCCC3)cc2)[nH]c2cc(F)cc(F)c2c1=O.
What is the InChIKey of 5,7-difluoro-3-methyl-2-(4-piperidin-1-ylphenyl)-1H-quinolin-4-one?
The InChIKey is KIPFHXAYZIYZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2O/c1-13-20(24-18-12-15(22)11-17(23)19(18)21(13)26)14-5-7-16(8-6-14)25-9-3-2-4-10-25/h5-8,11-12H,2-4,9-10H2,1H3,(H,24,26).
What are the key properties of 5,7-difluoro-3-methyl-2-(4-piperidin-1-ylphenyl)-1H-quinolin-4-one?
5,7-difluoro-3-methyl-2-(4-piperidin-1-ylphenyl)-1H-quinolin-4-one has a molecular weight of 354.40 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-3-methyl-2-(4-piperidin-1-ylphenyl)-1H-quinolin-4-one is sourced from PubChem (CID 129259171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).