3-[[4-(2-phenylethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-quinolin-2-one

C23H24N2O — CID 19970012

IUPAC3-[[4-(2-phenylethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1CN1CC=C(CCc2ccccc2)CC1
InChIInChI=1S/C23H24N2O/c26-23-21(16-20-8-4-5-9-22(20)24-23)17-25-14-12-19(13-15-25)11-10-18-6-2-1-3-7-18/h1-9,12,16H,10-11,13-15,17H2,(H,24,26)
InChIKeyJUOQGFSZZWKOTG-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.29
Rot. Bonds5

About 3-[[4-(2-phenylethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-quinolin-2-one

3-[[4-(2-phenylethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-quinolin-2-one (PubChem CID 19970012) has the molecular formula C23H24N2O and a molecular weight of 344.46 g/mol. Its IUPAC name is 3-[[4-(2-phenylethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[4-(2-phenylethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-quinolin-2-one
PubChem CID19970012
Molecular FormulaC23H24N2O
Molecular Weight344.46 g/mol
Exact Mass344.19
IUPAC Name3-[[4-(2-phenylethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1CN1CC=C(CCc2ccccc2)CC1
InChIInChI=1S/C23H24N2O/c26-23-21(16-20-8-4-5-9-22(20)24-23)17-25-14-12-19(13-15-25)11-10-18-6-2-1-3-7-18/h1-9,12,16H,10-11,13-15,17H2,(H,24,26)
InChIKeyJUOQGFSZZWKOTG-UHFFFAOYSA-N
XLogP4.29
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-phenylethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[[4-(2-phenylethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-quinolin-2-one (CID 19970012) is 3-[[4-(2-phenylethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[[4-(2-phenylethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[[4-(2-phenylethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1CN1CC=C(CCc2ccccc2)CC1.
What is the InChIKey of 3-[[4-(2-phenylethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-quinolin-2-one?
The InChIKey is JUOQGFSZZWKOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O/c26-23-21(16-20-8-4-5-9-22(20)24-23)17-25-14-12-19(13-15-25)11-10-18-6-2-1-3-7-18/h1-9,12,16H,10-11,13-15,17H2,(H,24,26).
What are the key properties of 3-[[4-(2-phenylethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-quinolin-2-one?
3-[[4-(2-phenylethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-quinolin-2-one has a molecular weight of 344.46 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-phenylethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 19970012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).