1-[(2-phenylquinolin-3-yl)methyl]piperidin-4-one

C21H20N2O — CID 69443099

IUPAC1-[(2-phenylquinolin-3-yl)methyl]piperidin-4-one
SMILESO=C1CCN(Cc2cc3ccccc3nc2-c2ccccc2)CC1
InChIInChI=1S/C21H20N2O/c24-19-10-12-23(13-11-19)15-18-14-17-8-4-5-9-20(17)22-21(18)16-6-2-1-3-7-16/h1-9,14H,10-13,15H2
InChIKeyRZSOFDKDLRRPTC-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.07
Rot. Bonds3

About 1-[(2-phenylquinolin-3-yl)methyl]piperidin-4-one

1-[(2-phenylquinolin-3-yl)methyl]piperidin-4-one (PubChem CID 69443099) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-[(2-phenylquinolin-3-yl)methyl]piperidin-4-one.

Molecular Properties

Compound Name1-[(2-phenylquinolin-3-yl)methyl]piperidin-4-one
PubChem CID69443099
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name1-[(2-phenylquinolin-3-yl)methyl]piperidin-4-one
SMILESO=C1CCN(Cc2cc3ccccc3nc2-c2ccccc2)CC1
InChIInChI=1S/C21H20N2O/c24-19-10-12-23(13-11-19)15-18-14-17-8-4-5-9-20(17)22-21(18)16-6-2-1-3-7-16/h1-9,14H,10-13,15H2
InChIKeyRZSOFDKDLRRPTC-UHFFFAOYSA-N
XLogP4.07
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-phenylquinolin-3-yl)methyl]piperidin-4-one?
The IUPAC name of 1-[(2-phenylquinolin-3-yl)methyl]piperidin-4-one (CID 69443099) is 1-[(2-phenylquinolin-3-yl)methyl]piperidin-4-one.
What is the SMILES notation for 1-[(2-phenylquinolin-3-yl)methyl]piperidin-4-one?
The canonical SMILES for 1-[(2-phenylquinolin-3-yl)methyl]piperidin-4-one is O=C1CCN(Cc2cc3ccccc3nc2-c2ccccc2)CC1.
What is the InChIKey of 1-[(2-phenylquinolin-3-yl)methyl]piperidin-4-one?
The InChIKey is RZSOFDKDLRRPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c24-19-10-12-23(13-11-19)15-18-14-17-8-4-5-9-20(17)22-21(18)16-6-2-1-3-7-16/h1-9,14H,10-13,15H2.
What are the key properties of 1-[(2-phenylquinolin-3-yl)methyl]piperidin-4-one?
1-[(2-phenylquinolin-3-yl)methyl]piperidin-4-one has a molecular weight of 316.40 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-phenylquinolin-3-yl)methyl]piperidin-4-one is sourced from PubChem (CID 69443099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).