6-methylidene-4-phenyl-3-piperidin-1-ylquinolin-2-one

C21H20N2O — CID 78205950

IUPAC6-methylidene-4-phenyl-3-piperidin-1-ylquinolin-2-one
SMILESC=c1ccc2c(c1)C(c1ccccc1)=C(N1CCCCC1)C(=O)N=2
InChIInChI=1S/C21H20N2O/c1-15-10-11-18-17(14-15)19(16-8-4-2-5-9-16)20(21(24)22-18)23-12-6-3-7-13-23/h2,4-5,8-11,14H,1,3,6-7,12-13H2
InChIKeyGXYGFGAWQPPQFI-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.50
Rot. Bonds2

About 6-methylidene-4-phenyl-3-piperidin-1-ylquinolin-2-one

6-methylidene-4-phenyl-3-piperidin-1-ylquinolin-2-one (PubChem CID 78205950) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is 6-methylidene-4-phenyl-3-piperidin-1-ylquinolin-2-one.

Molecular Properties

Compound Name6-methylidene-4-phenyl-3-piperidin-1-ylquinolin-2-one
PubChem CID78205950
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name6-methylidene-4-phenyl-3-piperidin-1-ylquinolin-2-one
SMILESC=c1ccc2c(c1)C(c1ccccc1)=C(N1CCCCC1)C(=O)N=2
InChIInChI=1S/C21H20N2O/c1-15-10-11-18-17(14-15)19(16-8-4-2-5-9-16)20(21(24)22-18)23-12-6-3-7-13-23/h2,4-5,8-11,14H,1,3,6-7,12-13H2
InChIKeyGXYGFGAWQPPQFI-UHFFFAOYSA-N
XLogP2.50
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methylidene-4-phenyl-3-piperidin-1-ylquinolin-2-one?
The IUPAC name of 6-methylidene-4-phenyl-3-piperidin-1-ylquinolin-2-one (CID 78205950) is 6-methylidene-4-phenyl-3-piperidin-1-ylquinolin-2-one.
What is the SMILES notation for 6-methylidene-4-phenyl-3-piperidin-1-ylquinolin-2-one?
The canonical SMILES for 6-methylidene-4-phenyl-3-piperidin-1-ylquinolin-2-one is C=c1ccc2c(c1)C(c1ccccc1)=C(N1CCCCC1)C(=O)N=2.
What is the InChIKey of 6-methylidene-4-phenyl-3-piperidin-1-ylquinolin-2-one?
The InChIKey is GXYGFGAWQPPQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c1-15-10-11-18-17(14-15)19(16-8-4-2-5-9-16)20(21(24)22-18)23-12-6-3-7-13-23/h2,4-5,8-11,14H,1,3,6-7,12-13H2.
What are the key properties of 6-methylidene-4-phenyl-3-piperidin-1-ylquinolin-2-one?
6-methylidene-4-phenyl-3-piperidin-1-ylquinolin-2-one has a molecular weight of 316.40 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-4-phenyl-3-piperidin-1-ylquinolin-2-one is sourced from PubChem (CID 78205950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).