6-[(E)-3-(4-benzylpiperidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one

C24H28N2O — CID 13120862

IUPAC6-[(E)-3-(4-benzylpiperidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(/C=C/CN3CCC(Cc4ccccc4)CC3)ccc2N1
InChIInChI=1S/C24H28N2O/c27-24-11-9-22-18-20(8-10-23(22)25-24)7-4-14-26-15-12-21(13-16-26)17-19-5-2-1-3-6-19/h1-8,10,18,21H,9,11-17H2,(H,25,27)/b7-4+
InChIKeyNOYUSDSPBFWBPU-QPJJXVBHSA-N
MW360.50 g/mol
LogP4.54
Rot. Bonds5

About 6-[(E)-3-(4-benzylpiperidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one

6-[(E)-3-(4-benzylpiperidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 13120862) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is 6-[(E)-3-(4-benzylpiperidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(E)-3-(4-benzylpiperidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID13120862
Molecular FormulaC24H28N2O
Molecular Weight360.50 g/mol
Exact Mass360.22
IUPAC Name6-[(E)-3-(4-benzylpiperidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(/C=C/CN3CCC(Cc4ccccc4)CC3)ccc2N1
InChIInChI=1S/C24H28N2O/c27-24-11-9-22-18-20(8-10-23(22)25-24)7-4-14-26-15-12-21(13-16-26)17-19-5-2-1-3-6-19/h1-8,10,18,21H,9,11-17H2,(H,25,27)/b7-4+
InChIKeyNOYUSDSPBFWBPU-QPJJXVBHSA-N
XLogP4.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-[(E)-3-(4-benzylpiperidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

7-[2-(4-benzylpiperidin-1-yl)acetyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 21465114
6-[4-[4-(3-chlorophenyl)piperazin-1-yl]but-1-enyl]-3,4-dihydro-1H-quinolin-2-one
CID 54568797
6-(4-bromobut-1-enyl)-3,4-dihydro-1H-quinolin-2-one
CID 170498191
[4-[3-(4-benzylpiperidin-1-yl)prop-1-enyl]-2-methoxyphenyl] acetate
CID 3462379
N-[(4-benzylcyclohexyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 58923659
(E)-4-(4-benzylpiperidin-1-yl)but-2-enoic acid
CID 62343923
6-[3-(4-phenylpiperidin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one
CID 13120864
6-[[1-(2-oxo-3-phenylpropyl)azetidin-3-yl]methyl]-3,4-dihydro-1H-quinolin-2-one
CID 90054264
5-[3-(4-benzylpiperidin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 3060986
6-[2-(4-hydroxypiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 96669721
1-benzyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperidine-4-carboxamide
CID 70048298
4-[(E)-3-[4-[(4-methylphenyl)methyl]piperidin-1-yl]prop-1-enyl]phenol
CID 140981974

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-3-(4-benzylpiperidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[(E)-3-(4-benzylpiperidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one (CID 13120862) is 6-[(E)-3-(4-benzylpiperidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[(E)-3-(4-benzylpiperidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[(E)-3-(4-benzylpiperidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(/C=C/CN3CCC(Cc4ccccc4)CC3)ccc2N1.
What is the InChIKey of 6-[(E)-3-(4-benzylpiperidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is NOYUSDSPBFWBPU-QPJJXVBHSA-N. The full InChI is InChI=1S/C24H28N2O/c27-24-11-9-22-18-20(8-10-23(22)25-24)7-4-14-26-15-12-21(13-16-26)17-19-5-2-1-3-6-19/h1-8,10,18,21H,9,11-17H2,(H,25,27)/b7-4+.
What are the key properties of 6-[(E)-3-(4-benzylpiperidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one?
6-[(E)-3-(4-benzylpiperidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 360.50 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-3-(4-benzylpiperidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 13120862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).